data_2lkl_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 2lkl _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 ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -79.4 144.5 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.9 p -83.79 161.23 21.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.64 -38.71 67.19 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.813 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.51 -47.77 77.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.943 0.402 . . . . 0.0 110.283 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.35 -37.67 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.529 0.68 . . . . 0.0 109.578 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.463 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.9 t-105 -62.95 -49.75 73.5 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -54.6 -39.11 67.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.064 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -63.54 -43.23 97.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.1 tp -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.104 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.574 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 70.6 mttt -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.066 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.82 -43.54 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.625 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -59.98 -43.43 95.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.618 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -64.68 -46.92 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.407 0.622 . . . . 0.0 109.768 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.498 HG23 ' ND2' ' A' ' 45' ' ' ASN . 71.7 mt -58.42 -48.27 85.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.396 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.5 t -57.56 -42.88 83.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.48 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.66 90.42 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.78 -37.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.045 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.625 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.7 -25.18 38.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.893 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -71.16 -37.31 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.259 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -89.83 151.86 21.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -57.42 -21.32 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.196 0.522 . . . . 0.0 109.703 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -57.95 -14.04 5.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.198 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 13.1 ptpt -52.25 -28.08 17.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.08 -34.8 68.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.62 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.3 mt -62.61 -44.72 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.987 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.543 HG11 ' N ' ' A' ' 35' ' ' ALA . 10.6 p -64.11 -35.86 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.024 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.543 ' N ' HG11 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.364 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.31 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.583 HD22 ' CD2' ' A' ' 47' ' ' LEU . 6.8 p30 . . . . . 0 CA--C 1.52 -0.175 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 50' ' ' LEU . 21.5 mt-30 63.7 46.45 4.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.063 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.726 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 74.9 mt -43.6 -49.58 7.55 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.208 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 63.2 t0 -57.67 -62.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.515 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.19 -39.01 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.987 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 46' ' ' GLN . 4.0 tt -59.85 -46.29 89.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.726 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.5 m-70 -58.1 -50.32 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.072 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -60.87 -45.97 92.45 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.231 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.97 -51.89 67.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.399 0.619 . . . . 0.0 110.3 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.0 tp -55.16 -50.57 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.71 -42.76 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.727 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.637 ' NH2' ' HE2' ' A' ' 57' ' ' HIS . 42.0 ttp180 -63.32 -33.11 74.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.59 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.637 ' HE2' ' NH2' ' A' ' 56' ' ' ARG . 90.9 m-70 -112.58 17.62 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.044 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.0 ptm180 -52.63 -34.11 49.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.867 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 60' ' ' MET . 24.7 p-10 -59.19 -27.29 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.613 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.713 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.76 -29.81 65.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 p -61.14 -28.29 69.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.479 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -73.24 -12.78 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.416 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.54 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 22.4 mttt -84.8 19.37 2.08 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.713 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.85 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.116 178.376 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.24 -1.23 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.028 0.442 . . . . 0.0 110.114 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.6 p -83.86 -172.97 4.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -121.31 -64.76 1.2 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.81 -39.33 93.94 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.623 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.423 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 65.2 m-20 -62.53 -44.29 96.72 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.685 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.488 HG12 ' CD1' ' A' ' 64' ' ' TRP . 57.1 mt -56.4 -44.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.392 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -56.48 -38.58 71.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.798 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.3 -45.8 92.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.027 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 3.4 mptt -63.25 -47.81 80.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 6.7 mp -58.64 -38.06 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.606 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 3.5 m120 -58.41 -47.11 84.99 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.76 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.61 -37.14 85.77 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -73.11 -38.91 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.22 -42.52 86.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 75' ' ' ASN . 21.9 m120 -60.29 -41.29 93.05 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -88.04 -17.83 30.29 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.474 -0.491 . . . . 0.0 111.739 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.778 -179.604 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.0 mttt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.78 148.39 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.066 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.443 ' HG1' ' CG ' ' A' ' 13' ' ' GLU . 58.4 p -83.49 158.38 22.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.68 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -52.5 -41.31 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.473 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.27 -46.55 80.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 110.647 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' CG ' ' HG1' ' A' ' 10' ' ' THR . 81.2 mm-40 -64.95 -36.23 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.5 ' CD1' ' NZ ' ' A' ' 18' ' ' LYS . 2.5 t-105 -63.44 -49.43 73.75 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.038 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.465 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 87.0 m-20 -53.8 -40.16 66.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.731 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -65.5 -42.25 92.31 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 35.9 tp -61.6 -37.42 83.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.877 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' NZ ' ' CD1' ' A' ' 14' ' ' TRP . 54.5 mttp -60.56 -45.33 94.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.894 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.497 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -63.13 -43.88 97.16 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.258 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.694 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 96.9 m-20 -61.87 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.965 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -66.53 -46.91 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.3 mt -57.48 -44.48 84.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.854 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 t -56.58 -42.35 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.347 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . -62.09 -35.79 91.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 mm -71.29 -36.28 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.882 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.593 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.95 -27.68 30.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.2 0.524 . . . . 0.0 109.809 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -70.01 -33.19 71.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.156 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 17.5 m-20 -99.3 146.48 26.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.353 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' A' ' 31' ' ' LYS . 83.4 tt0 -55.81 -22.39 24.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -49.04 -12.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.629 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 29' ' ' GLU . 6.2 ttpm? -49.06 -29.08 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.436 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.722 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 17.0 p30 -58.16 -29.93 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.722 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 71.6 mt -63.46 -37.13 86.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.54 -42.02 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.484 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.81 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.694 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 2.8 m120 . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.591 0.234 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.694 ' NE2' ' O ' ' A' ' 45' ' ' ASN . 0.8 OUTLIER 40.73 69.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 109.484 -178.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.1 mt -53.11 -45.18 68.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.717 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -58.08 -50.49 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.588 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mp -69.79 -39.65 76.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.143 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.91 -45.05 91.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.119 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.571 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -58.93 -46.73 87.25 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -59.08 -54.4 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.616 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.74 -50.13 71.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.208 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.0 -42.79 80.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.742 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.508 HH21 ' HE2' ' A' ' 57' ' ' HIS . 36.6 ttp-105 -63.14 -31.94 73.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.556 ' O ' ' CG ' ' A' ' 60' ' ' MET . 69.0 m-70 -109.79 17.34 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.4 ptm180 -53.42 -36.15 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 110.134 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -58.71 -33.13 69.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.764 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.2 ppp? -58.88 -31.5 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.641 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.512 ' N ' ' HG3' ' A' ' 60' ' ' MET . 7.9 p -59.23 -26.25 64.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -74.9 -13.17 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.806 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.577 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 33.2 mtpt -87.83 25.16 1.58 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.764 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.67 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.861 178.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 mttm 61.43 -6.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.633 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.611 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 96.3 p -83.13 172.87 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.694 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 9.8 tptt -99.99 -56.81 2.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 111.635 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.59 -45.49 86.73 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 18.9 m-20 -59.05 -43.79 91.72 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.101 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CD1' ' O ' ' A' ' 66' ' ' SER . 30.1 mt -59.58 -42.22 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.092 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.71 -38.96 76.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -63.06 -40.77 98.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.519 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptt -61.43 -48.05 82.92 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.836 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 74' ' ' LEU . 7.8 mp -55.27 -41.98 72.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -57.6 -44.74 85.65 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.472 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -69.54 -41.15 76.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.408 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.32 -40.96 86.01 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.569 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 1.3 t90 -57.83 -40.85 81.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -61.29 -41.2 96.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.489 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 47.7 mmtt -85.49 -5.36 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 79.5 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.854 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.976 0.417 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -78.59 139.79 38.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.287 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.0 p -83.38 162.47 21.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.465 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -55.13 -42.6 73.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.548 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.9 -45.02 95.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.015 0.436 . . . . 0.0 110.342 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.35 -39.3 85.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.852 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -62.72 -47.99 81.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.572 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 74.6 m-20 -54.69 -39.85 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.618 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -65.03 -42.31 94.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.3 tp -59.0 -38.89 80.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.291 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -60.45 -47.81 84.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.572 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 2.9 mp0 -59.9 -43.62 94.74 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.816 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -59.44 -43.73 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' O ' HG12 ' A' ' 25' ' ' ILE . 5.3 m-30 -68.32 -46.71 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.953 0.406 . . . . 0.0 110.177 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.58 -48.8 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.817 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.2 m -55.93 -41.53 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.45 -31.1 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 21' ' ' PHE . 40.5 mm -70.71 -44.3 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.553 0.216 . . . . 0.0 111.284 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.33 -24.25 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 110.708 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -79.48 -43.04 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.464 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.523 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 25.8 p30 -84.97 162.38 19.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.063 0.459 . . . . 0.0 111.412 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.614 ' C ' ' H ' ' A' ' 31' ' ' LYS . 37.6 tp10 -60.49 -28.47 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.534 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.715 HE22 ' CG ' ' A' ' 75' ' ' ASN . 76.1 mt-30 -49.03 -6.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.411 . . . . 0.0 110.718 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.614 ' H ' ' C ' ' A' ' 29' ' ' GLU . 53.2 tttm -58.28 -36.69 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.699 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 43.8 p-10 -61.8 -33.99 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.541 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 71.2 mt -67.96 -46.51 71.22 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.759 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 31' ' ' LYS . 1.3 p -68.36 -30.31 47.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.691 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.309 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 81.2 m-20 . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.556 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 16.6 pt20 47.8 64.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.26 0.553 . . . . 0.0 111.014 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.562 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 46.8 mt -55.43 -44.28 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.78 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.47 -52.27 65.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 49' ' ' LEU . 6.2 mp -66.75 -40.07 88.15 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.301 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 5.1 tt -59.03 -45.73 89.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.007 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 24.4 m170 -58.16 -47.32 83.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.296 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -60.62 -48.97 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -57.25 -49.01 77.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.797 0.808 . . . . 0.0 109.077 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.85 -52.86 63.44 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.275 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.13 -41.54 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.64 -31.59 69.66 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.616 0.246 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.451 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.3 m-70 -114.14 23.31 13.02 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.651 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.671 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.3 ptm180 -54.14 -34.34 60.13 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.71 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.4 p30 -61.25 -29.03 69.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.031 0.443 . . . . 0.0 110.708 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.712 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.4 ptt? -56.79 -29.74 62.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.671 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 31.4 p -58.07 -28.03 64.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -76.05 -12.55 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.563 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtpp -86.16 19.85 2.53 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.712 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.44 -40.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.147 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mttp 60.77 32.19 20.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.424 ' HG ' ' HB2' ' A' ' 69' ' ' ASP . 69.0 p -150.59 136.32 18.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.139 0.495 . . . . 0.0 110.473 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -63.21 -52.05 63.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -60.98 -38.8 87.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HB2' ' HG ' ' A' ' 66' ' ' SER . 87.7 m-20 -63.08 -46.11 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.777 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.493 HG12 ' CD1' ' A' ' 64' ' ' TRP . 96.9 mt -57.9 -48.65 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.494 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.556 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 56.4 mt -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.774 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -59.09 -47.7 84.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 10.2 mmtm -63.25 -49.91 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.353 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.1 mp -58.84 -39.35 81.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.715 ' CG ' HE22 ' A' ' 30' ' ' GLN . 8.1 m120 -52.64 -48.09 66.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.59 -40.62 88.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.408 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 81' ' ' ASP . 71.4 mt-30 -70.87 -36.18 72.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.644 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t-105 -56.43 -45.54 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.547 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.541 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 2.8 m120 -69.2 -42.3 75.95 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.64 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -82.78 2.84 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.154 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 77' ' ' GLN . 76.0 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.835 -1.078 . . . . 0.0 110.466 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -72.39 139.89 48.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.545 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 49.6 p -85.61 164.46 17.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.908 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.616 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 64.3 m-20 -54.86 -39.85 69.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 83.7 m-20 -69.73 -42.69 73.65 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.564 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 97.9 mt-10 -66.33 -41.1 90.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 109.473 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.584 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 3.1 t-105 -64.64 -49.29 71.61 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.35 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 78.4 m-20 -54.43 -40.98 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.035 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.564 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 2.9 mt-30 -66.34 -43.97 84.59 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.584 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 56.1 tp -57.67 -39.16 76.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.126 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.644 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 21.7 mttt -58.63 -45.95 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.877 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -60.58 -43.68 97.08 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.608 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.63 -45.25 94.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.471 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -63.83 -46.81 83.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.664 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.594 ' CG2' ' ND2' ' A' ' 45' ' ' ASN . 58.3 mt -57.81 -49.49 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.576 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 m -55.36 -42.88 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.868 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -55.53 -36.47 64.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mm -76.27 -31.28 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -75.87 -33.08 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 110.01 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 87.1 mt-10 -78.87 -34.74 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.689 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 62.0 m-20 -78.65 164.71 24.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.273 0.559 . . . . 0.0 112.032 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -66.72 -26.62 67.09 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.599 ' OE1' ' OD1' ' A' ' 75' ' ' ASN . 55.8 mt-30 -50.48 -14.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.198 -1.365 . . . . 0.0 111.18 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -54.98 -40.07 69.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.095 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.44 -33.87 76.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 tp -66.1 -43.92 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.488 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.4 -33.44 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.115 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.285 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.594 ' ND2' ' CG2' ' A' ' 22' ' ' ILE . 13.8 m-20 . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 34.9 mt-30 65.1 45.33 3.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.492 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.702 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 27.2 mt -43.52 -56.94 3.37 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.364 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.11 -56.26 23.77 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.53 -41.97 92.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.34 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 2.6 tt -58.94 -44.69 91.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.024 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 14.1 m170 -58.07 -46.07 86.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.859 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -60.4 -49.82 76.04 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -54.64 -53.32 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.395 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.7 tp -57.83 -51.54 69.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.032 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.47 -47.92 75.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.607 0.241 . . . . 0.0 111.56 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 110.598 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.608 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -106.88 10.58 30.56 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.458 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.657 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.3 ptm180 -49.65 -35.61 21.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.131 0.491 . . . . 0.0 111.064 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.58 -34.32 64.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.486 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.698 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.94 -29.72 63.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.122 -179.098 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.8 p -59.27 -29.25 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.287 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 85.5 mt-10 -76.63 -10.88 59.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 61.2 mttp -86.29 21.61 2.02 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.698 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.37 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.449 178.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 61.61 46.79 6.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -149.71 118.41 6.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.187 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -50.58 -62.45 1.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.23 -40.53 90.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 15.0 t0 -62.28 -45.18 94.43 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.537 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.433 HG12 ' CD1' ' A' ' 64' ' ' TRP . 47.8 mt -60.17 -42.62 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.703 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt -58.85 -42.52 89.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.75 -43.12 94.4 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 12.4 mmtt -59.5 -51.52 69.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.807 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 74' ' ' LEU . 3.9 mp -57.5 -39.59 76.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.427 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.599 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 87.0 m-20 -55.58 -43.92 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.62 -42.46 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.157 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.36 -41.13 73.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.184 0.516 . . . . 0.0 110.444 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.56 -45.42 73.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.951 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -77.55 -34.13 53.91 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.449 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -58.16 -35.64 71.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.981 0.42 . . . . 0.0 109.91 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t0 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.591 178.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE1' ' SG ' ' A' ' 61' ' ' CYS . 67.6 m-85 -86.32 145.74 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 p -87.19 159.32 18.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.68 -40.29 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.427 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.62 -45.78 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.289 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -65.55 -38.38 89.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.477 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 2.8 t-105 -63.34 -48.26 78.74 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.729 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 98.3 m-20 -55.16 -39.03 69.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.214 0.53 . . . . 0.0 109.746 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -62.8 -43.37 98.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.81 -37.41 87.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.382 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -59.08 -45.48 90.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.703 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.688 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -64.37 -40.56 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.502 ' HB3' ' HZ1' ' A' ' 67' ' ' LYS . 68.2 m-20 -60.36 -46.64 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.326 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.3 m-30 -61.58 -50.35 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.478 HD12 HD22 ' A' ' 45' ' ' ASN . 92.8 mt -57.3 -50.59 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.953 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 8.5 t -54.42 -39.44 67.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.557 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.28 80.84 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 21' ' ' PHE . 18.2 mm -72.91 -43.11 60.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.883 0.373 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.626 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -77.07 -30.2 55.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.887 178.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' SER . 40.3 tp10 -75.7 -29.26 58.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.772 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 30' ' ' GLN . 77.2 m-20 -101.45 153.32 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.138 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.628 ' NE2' ' ND2' ' A' ' 75' ' ' ASN . 73.7 mt-30 -47.42 -24.25 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.822 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 3.3 pttm -49.58 -36.11 22.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 109.97 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.61 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 92.9 m-20 -59.96 -41.29 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.101 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.547 ' H ' HD12 ' A' ' 33' ' ' LEU . 8.7 mp -61.68 -38.81 89.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.871 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -43.0 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.656 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.572 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 1.5 p-10 . . . . . 0 C--O 1.228 -0.049 0 CA-C-O 120.33 0.109 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.572 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 2.0 pt20 48.69 54.95 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.263 0.554 . . . . 0.0 110.118 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.648 ' CD2' ' HE2' ' A' ' 51' ' ' HIS . 6.4 mt -47.59 -48.1 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.601 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -58.42 -52.08 67.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.538 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -66.7 -41.18 88.43 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.139 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -59.14 -44.19 92.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.559 -178.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.648 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 23.7 m170 -59.55 -46.91 87.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.699 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -60.76 -48.83 80.03 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.288 0.566 . . . . 0.0 109.637 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.53 -54.3 45.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.395 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.2 tp -55.62 -49.16 73.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.175 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -55.5 -43.16 75.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -63.0 -31.57 72.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.524 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.643 ' O ' ' SD ' ' A' ' 60' ' ' MET . 86.7 m-70 -112.91 20.03 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -55.49 -34.44 64.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 111.761 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.536 ' O ' ' OE1' ' A' ' 62' ' ' GLU . 77.0 m-20 -58.36 -28.25 64.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.828 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.73 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.9 ptm -55.59 -35.18 65.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.947 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.633 ' SG ' ' CD ' ' A' ' 62' ' ' GLU . 30.4 p -61.99 -29.84 70.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.246 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.633 ' CD ' ' SG ' ' A' ' 61' ' ' CYS . 58.9 mp0 -76.39 -13.72 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.606 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.94 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.287 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.732 ' C ' ' H ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -84.6 -33.1 23.43 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.467 179.555 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HB3' ' HZ3' ' A' ' 65' ' ' LYS . 7.2 ttpm? 58.52 -7.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.756 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.732 ' H ' ' C ' ' A' ' 64' ' ' TRP . 3.1 p -85.42 157.07 20.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.209 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.502 ' HZ1' ' HB3' ' A' ' 20' ' ' ASP . 17.1 tttp -93.12 -63.16 1.25 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.164 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.585 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 41.7 mp0 -60.56 -37.36 81.0 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.063 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -63.28 -44.7 94.35 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.921 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 HG12 ' CD1' ' A' ' 64' ' ' TRP . 86.0 mt -60.53 -39.9 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 90.6 mt -56.95 -41.74 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.4 -43.19 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.345 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.67 -50.38 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 78' ' ' TRP . 7.5 mp -56.06 -44.06 78.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.112 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.628 ' ND2' ' NE2' ' A' ' 30' ' ' GLN . 24.1 m-20 -55.46 -44.83 76.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.473 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.22 -41.39 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.6 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.69 -41.86 74.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.079 0.466 . . . . 0.0 110.321 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.7 t-105 -59.27 -39.25 82.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.93 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.546 ' ND2' ' CD2' ' A' ' 33' ' ' LEU . 3.2 m120 -72.94 -41.99 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -63.01 -41.93 99.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.136 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.498 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 13.1 t0 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.169 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.9 mttp . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -77.08 145.09 38.08 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.075 0.464 . . . . 0.0 111.673 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -83.69 159.7 21.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.305 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.519 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 88.3 m-20 -55.92 -41.45 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.385 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.678 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 65.3 m-20 -65.65 -45.04 84.47 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.824 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -66.1 -42.95 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.34 0.591 . . . . 0.0 109.79 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.469 ' CZ3' HD21 ' A' ' 17' ' ' LEU . 6.3 t-105 -60.54 -45.73 92.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.01 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 90.5 m-20 -54.0 -40.71 67.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.655 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.678 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -63.86 -42.65 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD21 ' CZ3' ' A' ' 14' ' ' TRP . 48.8 tp -62.34 -35.4 78.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.827 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.766 ' HZ1' ' ND1' ' A' ' 51' ' ' HIS . 68.0 mttt -58.27 -44.03 88.21 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.804 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.83 -41.75 98.17 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.724 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.94 -40.4 84.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CE2' ' CD2' ' A' ' 74' ' ' LEU . 4.4 m-30 -65.84 -45.33 82.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.9 mt -59.55 -45.77 93.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.731 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -57.64 -45.62 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.675 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.92 -30.31 74.94 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.479 HD12 ' CZ2' ' A' ' 78' ' ' TRP . 5.6 mm -70.63 -38.27 72.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.797 0.332 . . . . 0.0 110.616 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.586 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -73.26 -35.76 66.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -89.91 157.73 17.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' LYS . 47.4 tt0 -57.11 -25.25 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -50.45 -12.57 0.1 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.512 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 29' ' ' GLU . 40.7 tttp -56.49 -35.64 68.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.269 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.714 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 31.6 p30 -60.77 -36.07 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.909 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.714 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 40.6 tp -66.85 -49.0 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.664 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -31.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.372 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.829 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 65.1 m-20 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.105 0.478 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.544 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 12.7 pt20 48.54 59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.391 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.476 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 8.8 mt -60.17 -45.65 92.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.829 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.74 -51.34 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.698 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -66.68 -41.21 88.46 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.448 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.443 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 4.3 tt -58.28 -44.4 88.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.98 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.766 ' ND1' ' HZ1' ' A' ' 18' ' ' LYS . 17.3 m170 -59.81 -46.55 88.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.281 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.19 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.252 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -58.19 -49.17 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.416 ' CD1' ' CE2' ' A' ' 21' ' ' PHE . 19.9 tp -58.88 -54.74 43.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.233 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 28.3 m-20 -56.72 -41.17 76.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.225 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.497 HH11 ' HG3' ' A' ' 56' ' ' ARG . 39.2 ttm-85 -60.54 -32.89 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.36 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.61 ' O ' ' CG ' ' A' ' 60' ' ' MET . 84.5 m-70 -114.54 24.69 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -53.15 -33.7 53.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.94 -25.66 65.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.632 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.745 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.06 -33.36 67.16 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.608 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.9 p -66.73 -30.33 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.208 0.528 . . . . 0.0 110.28 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 74.9 mm-40 -74.55 -29.05 61.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -75.48 -44.97 41.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -127.36 49.22 2.12 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.8 179.693 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' TRP . 37.1 tttt -35.44 82.09 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.79 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.677 ' N ' ' O ' ' A' ' 64' ' ' TRP . 26.0 p -153.04 166.5 32.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -100.29 -69.64 0.76 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -61.88 -37.66 85.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 111.033 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.463 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -61.39 -51.36 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.652 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.489 HG12 ' CD1' ' A' ' 64' ' ' TRP . 34.7 mt -60.23 -43.82 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.639 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.663 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 79.6 mt -55.37 -40.59 71.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.699 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.453 ' HD1' ' C ' ' A' ' 72' ' ' HIS . 1.2 t-80 -61.78 -45.39 94.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtm -60.73 -51.51 69.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.43 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.669 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -58.01 -39.46 78.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.511 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.663 ' ND2' ' O ' ' A' ' 71' ' ' LEU . 3.6 m120 -55.15 -46.63 75.7 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.312 0.577 . . . . 0.0 109.935 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 94.4 mt-10 -64.63 -39.51 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.332 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.43 -35.72 58.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.348 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.479 ' CZ2' HD12 ' A' ' 25' ' ' ILE . 4.4 t-105 -55.31 -41.55 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.826 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -58.52 -38.17 77.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.434 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 81' ' ' ASP . 25.1 mttm -58.95 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.727 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.501 ' O ' ' O ' ' A' ' 80' ' ' LYS . 65.1 t0 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.558 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 mttt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.648 0.261 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -74.21 149.74 40.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.04 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 p -85.03 159.88 20.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.243 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -54.54 -40.57 68.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.776 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.23 -43.95 76.82 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 99.0 mt-10 -65.16 -40.24 94.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 109.184 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.481 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.6 t-105 -63.41 -48.4 77.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.765 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.593 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 7.1 m120 -56.23 -43.89 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.989 0.423 . . . . 0.0 111.024 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 1.8 mt-30 -61.38 -41.61 97.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 34.4 tp -62.22 -39.89 94.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.436 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.539 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.4 mttt -57.62 -42.09 82.64 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.076 0.465 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.593 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 4.2 mp0 -64.41 -39.59 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.12 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.629 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 90.4 m-20 -58.55 -42.88 88.88 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.933 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CD2' HD11 ' A' ' 54' ' ' LEU . 29.3 m-85 -63.85 -50.46 68.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.47 HG21 ' ND2' ' A' ' 45' ' ' ASN . 77.7 mt -58.08 -42.21 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.495 ' OG ' ' O ' ' A' ' 19' ' ' GLN . 44.6 m -58.48 -49.95 75.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.553 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.57 75.45 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.672 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.7 mm -71.76 -46.41 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.653 -0.322 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.524 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -80.26 -28.12 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -72.84 -44.77 61.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.576 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -88.86 167.23 13.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.127 0.489 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' C ' ' H ' ' A' ' 31' ' ' LYS . 46.2 tp10 -59.37 -23.64 62.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.802 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -50.54 -7.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.279 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.591 ' H ' ' C ' ' A' ' 29' ' ' GLU . 15.1 pttp -60.01 -30.38 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.752 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -58.53 -35.85 72.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD11 ' H ' ' A' ' 33' ' ' LEU . 8.3 mp -62.74 -36.89 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.58 HG21 HE22 ' A' ' 46' ' ' GLN . 0.9 OUTLIER -68.22 -37.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.202 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.507 ' C ' ' CD ' ' A' ' 46' ' ' GLN . 55.9 m-80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.58 HE22 HG21 ' A' ' 34' ' ' VAL . 11.2 pm0 45.05 64.43 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.889 0.852 . . . . 0.0 109.831 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.691 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.3 mt -48.56 -48.13 38.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.121 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 49' ' ' LEU . 29.9 p-10 -59.78 -53.67 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 7.1 mp -69.56 -41.98 75.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 7.5 tt -58.5 -44.04 89.28 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.839 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.691 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 13.0 m-70 -58.32 -49.58 76.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.56 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -58.16 -43.17 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -58.35 -54.95 41.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.658 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ARG . 9.5 tp -56.72 -52.44 64.97 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.757 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -56.42 -43.6 79.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.134 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 13.2 ttm105 -63.24 -31.53 72.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.965 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -112.85 17.57 18.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.378 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.576 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.3 ptm180 -50.28 -34.09 22.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.086 0.47 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.39 -31.33 67.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.645 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.73 -27.42 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 0.0 111.054 179.696 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.576 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.0 p -61.61 -29.54 70.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.576 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 98.9 mt-10 -77.57 -12.0 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 30.0 mtmt -84.69 23.06 1.21 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.724 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.03 -45.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.638 178.737 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttm 67.71 -19.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.655 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.8 p -86.34 123.84 32.03 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.629 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 7.1 tptm -58.56 -51.91 67.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.304 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -56.83 -40.9 76.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.037 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 46.7 m-20 -62.24 -43.49 98.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.123 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 64' ' ' TRP . 73.5 mt -58.05 -50.45 78.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.731 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.33 -42.73 74.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -60.12 -44.97 94.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.479 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -64.69 -48.7 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.025 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 74' ' ' LEU . 3.5 mp -57.57 -40.34 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -56.07 -44.4 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -67.19 -41.0 86.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.7 -36.66 78.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 0.0 109.69 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -56.8 -49.05 76.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.875 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -70.14 -34.39 72.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.375 0.607 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -64.58 -36.77 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.038 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.87 -179.09 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mttm . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -75.72 145.31 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.554 . . . . 0.0 111.446 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.718 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 18.1 p -80.73 158.0 25.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.644 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.22 -40.95 68.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 87.6 m-20 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.684 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.718 ' H ' ' HG1' ' A' ' 10' ' ' THR . 77.9 mm-40 -64.16 -39.37 93.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.745 0.783 . . . . 0.0 109.412 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.467 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -62.95 -48.34 79.31 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.357 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.505 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 84.3 m-20 -54.37 -42.33 70.2 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.279 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.588 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -64.51 -43.31 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.92 -36.45 79.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.269 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.613 ' HZ1' ' CG ' ' A' ' 51' ' ' HIS . 22.8 mttm -61.72 -46.77 88.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.584 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.505 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -60.14 -40.08 88.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.489 -179.502 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.96 -44.57 96.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.793 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.462 ' CD2' ' CD2' ' A' ' 74' ' ' LEU . 4.8 m-30 -63.71 -43.55 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 96.3 mt -58.38 -45.13 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -58.57 -45.32 89.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.621 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.1 63.47 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.468 HD13 ' CE3' ' A' ' 78' ' ' TRP . 19.5 mm -74.6 -43.79 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.575 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.13 -29.4 62.87 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.147 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.17 -40.77 44.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.423 ' HB3' HE21 ' A' ' 30' ' ' GLN . 86.6 m-20 -82.77 159.02 22.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.0 tt0 -57.0 -24.31 52.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.6 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -51.91 -10.89 0.13 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.823 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' O ' HG13 ' A' ' 34' ' ' VAL . 40.0 ttpt -56.44 -38.09 71.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.342 0.592 . . . . 0.0 111.532 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -66.79 -39.9 87.94 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.213 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.713 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 86.0 mt -60.74 -45.69 93.32 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.359 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.532 ' CG2' ' NE2' ' A' ' 46' ' ' GLN . 10.3 p -64.81 -30.04 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.843 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.212 179.392 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.716 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 2.6 m120 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.648 0.261 . . . . 0.0 111.585 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.716 ' NE2' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 52.94 45.67 28.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.515 0.674 . . . . 0.0 110.055 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 6.3 mt -29.22 -54.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -60.07 -54.74 42.42 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.492 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 1.9 tt -57.37 -44.43 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 19.4 m170 -57.98 -46.55 84.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.279 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.66 -48.38 82.04 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.432 ' CH2' ' OE1' ' A' ' 77' ' ' GLN . 69.4 t90 -56.05 -52.6 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.14 -52.21 66.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.254 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.63 -41.97 67.29 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.144 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -62.46 -33.66 75.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.577 ' O ' ' CG ' ' A' ' 60' ' ' MET . 76.7 m-70 -110.79 19.76 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.301 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.725 0.297 . . . . 0.0 111.334 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -57.37 -34.48 68.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 109.988 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.735 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.4 ppp? -60.5 -28.07 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.939 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 11.2 p -60.03 -28.03 67.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.449 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -76.82 -13.12 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.274 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.548 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 91.4 mttt -82.15 20.42 1.03 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.564 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.735 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.22 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.788 178.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.32 -6.27 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.723 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.0 p -89.49 174.92 7.52 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.497 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -112.24 -53.0 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.69 -37.65 87.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -65.46 -44.23 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.188 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 66' ' ' SER . 65.5 mt -61.93 -40.58 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.203 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 HD23 ' CE1' ' A' ' 21' ' ' PHE . 83.4 mt -58.08 -41.4 83.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.565 ' CE1' ' OE2' ' A' ' 76' ' ' GLU . 11.3 t-80 -61.28 -39.5 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 110.164 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -61.83 -48.15 81.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.685 178.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.9 mp -57.92 -40.38 80.28 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.65 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.37 -48.05 80.06 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.369 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.565 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 96.4 mt-10 -65.01 -39.15 93.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.546 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 89.1 mt-30 -70.46 -38.71 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.345 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.531 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 1.1 t-105 -56.69 -46.62 81.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.391 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.713 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 4.0 m120 -65.35 -39.73 92.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' ASP . 27.0 mtpt -83.71 1.78 40.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.658 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' CG ' ' O ' ' A' ' 78' ' ' TRP . 76.9 m-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.723 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.458 -0.052 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -74.1 151.04 40.22 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.029 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.412 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 27.7 p -85.22 160.36 19.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.702 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.468 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 53.2 m-20 -55.07 -40.54 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.281 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.57 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 79.9 m-20 -66.78 -45.45 78.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.983 0.42 . . . . 0.0 110.708 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 93.5 mt-10 -63.9 -39.76 94.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.567 0.699 . . . . 0.0 109.422 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.465 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.1 t-105 -62.47 -45.38 93.33 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.316 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.544 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.5 m120 -55.75 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.69 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.614 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -63.93 -41.91 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.455 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 21.6 tp -59.72 -38.65 82.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.699 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 24.7 mttt -61.22 -45.78 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.49 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.694 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 2.5 mp0 -61.18 -44.2 97.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.71 -42.11 96.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.471 ' CD1' HD11 ' A' ' 71' ' ' LEU . 5.6 m-30 -67.02 -45.22 78.17 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.172 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 m -56.6 -41.91 77.84 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.512 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . -61.14 -32.23 79.74 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mm -73.08 -37.95 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.345 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.52 -29.24 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 75.4 mm-40 -75.99 -34.62 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.537 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -95.34 168.41 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.346 0.594 . . . . 0.0 111.548 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.07 -25.98 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.32 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.486 ' HB3' HD22 ' A' ' 28' ' ' ASN . 4.6 tt0 -54.05 -15.76 1.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.798 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -57.7 -38.32 75.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.428 0.632 . . . . 0.0 109.784 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -61.11 -44.87 96.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.035 179.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.404 HD22 ' CD1' ' A' ' 78' ' ' TRP . 11.1 tp -55.21 -39.65 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.342 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.5 HG11 ' N ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -64.83 -37.1 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.13 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.5 ' N ' HG11 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.197 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.467 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 7.7 m120 . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.543 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 16.6 pt20 49.24 58.5 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.676 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 25.8 mt -48.51 -49.38 36.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.566 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 14.5 p-10 -61.16 -56.22 23.28 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.75 -40.35 94.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.666 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 5.9 tt -58.94 -45.4 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.984 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 15.4 m170 -61.06 -45.97 92.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.319 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -59.98 -48.09 83.13 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.58 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.805 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.9 tp -58.24 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.665 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -56.97 -43.24 81.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.374 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -60.89 -33.71 73.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.555 ' O ' ' CG ' ' A' ' 60' ' ' MET . 88.2 m-70 -116.04 23.32 12.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.553 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -52.55 -33.3 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.087 0.47 . . . . 0.0 110.225 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.698 ' OD1' ' N ' ' A' ' 60' ' ' MET . 45.2 p-10 -58.66 -28.89 66.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.484 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.708 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.64 -27.47 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -179.568 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.553 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 22.0 p -62.01 -28.24 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.741 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.72 -14.83 61.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.78 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HZ3' ' HA ' ' A' ' 60' ' ' MET . 23.6 mttp -84.61 17.94 2.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.755 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.708 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.39 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.163 178.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp 64.05 0.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.642 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 79.1 p -84.33 166.34 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 71' ' ' LEU . 23.4 tttm -98.15 -70.77 0.71 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.34 -40.13 85.35 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.68 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 29.2 t0 -61.97 -41.98 98.61 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.642 ' CD1' ' O ' ' A' ' 66' ' ' SER . 48.2 mt -58.78 -46.43 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.29 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 8.2 mp -55.21 -37.75 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.238 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -62.35 -46.8 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.337 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.68 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 13.2 mmtm -61.33 -50.73 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.0 mp -56.11 -41.84 75.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.244 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 6.3 m120 -55.0 -42.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.438 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.05 -43.16 88.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.545 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 94.4 mm-40 -71.9 -36.68 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.759 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.404 ' CD1' HD22 ' A' ' 33' ' ' LEU . 1.4 t-105 -55.06 -43.33 73.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -64.16 -36.56 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.897 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.8 -6.35 58.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.404 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 1.4 m-20 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.399 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -77.82 134.31 38.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.286 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.525 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 59.1 p -85.61 162.46 18.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.773 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.649 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 94.7 m-20 -54.04 -40.16 66.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.803 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -65.39 -48.69 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.418 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.525 ' H ' ' HG1' ' A' ' 10' ' ' THR . 96.7 mt-10 -64.04 -39.89 95.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.396 0.617 . . . . 0.0 109.487 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.42 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.9 t-105 -63.82 -49.4 72.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.541 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.649 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 85.0 m-20 -55.1 -38.64 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.089 0.471 . . . . 0.0 110.557 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -63.37 -42.61 98.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.94 -37.92 84.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.244 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.521 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.8 mttt -59.28 -44.97 92.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.578 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -62.23 -41.7 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.762 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.38 -43.57 92.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.681 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -65.64 -47.74 74.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.554 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 95.4 mt -59.16 -43.87 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.384 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 t -57.62 -46.49 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.349 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.521 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.02 -31.92 69.7 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.505 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 65.4 mt -70.5 -51.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.824 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.59 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -68.54 -31.68 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 0.0 109.764 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tm-20 -75.39 -42.52 53.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.962 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.711 ' C ' HD21 ' A' ' 28' ' ' ASN . 0.1 OUTLIER -88.5 163.14 16.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.277 0.56 . . . . 0.0 111.221 -179.415 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 31' ' ' LYS . 31.5 tt0 -63.05 -25.67 68.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.412 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -54.5 -7.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.967 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 29' ' ' GLU . 17.4 tttm -50.22 -28.05 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.954 0.407 . . . . 0.0 110.588 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -59.26 -36.32 75.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 7.9 mp -56.1 -40.86 74.32 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.604 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -43.68 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.065 0.46 . . . . 0.0 109.784 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.714 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.554 ' OD1' ' CG2' ' A' ' 22' ' ' ILE . 12.5 m120 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.683 0.278 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' LEU . 70.1 mt-30 64.55 45.33 3.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.558 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.646 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 18.2 mt -41.56 -55.68 2.81 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.087 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -61.67 -56.04 24.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.83 -43.39 79.67 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.991 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -58.48 -41.38 85.15 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 3.9 m-70 -59.05 -49.47 77.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.905 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.466 ' CH2' ' OE1' ' A' ' 77' ' ' GLN . 36.9 t90 -53.69 -55.85 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.52 -49.63 72.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.505 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 66.6 m-20 -55.63 -43.45 76.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -64.09 -33.15 75.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.453 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.2 m-70 -109.56 18.25 20.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.318 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.579 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.9 ptm180 -54.6 -36.28 64.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.02 -28.75 66.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.724 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.0 ptt? -57.91 -30.27 65.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.827 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.579 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -60.26 -27.25 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -74.2 -13.48 60.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.767 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 32.6 mtpt -87.27 19.84 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.305 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.724 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.09 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.409 -0.517 . . . . 0.0 112.018 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt 63.57 -0.64 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.559 ' H ' ' C ' ' A' ' 64' ' ' TRP . 92.9 p -83.75 170.84 13.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.567 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -107.09 -67.64 0.94 Allowed 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -61.47 -39.93 92.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.989 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.47 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.795 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 66' ' ' SER . 63.5 mt -58.26 -42.33 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.934 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.6 mt -56.61 -41.53 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.371 . . . . 0.0 110.416 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.449 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtt -60.34 -50.64 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 6.9 mp -56.71 -42.43 79.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.792 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.534 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 94.2 m-20 -54.83 -46.78 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.811 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.7 -39.87 80.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.871 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.466 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 37.0 tt0 -68.12 -41.07 82.29 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.37 -40.38 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.631 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.534 ' OD1' ' O ' ' A' ' 75' ' ' ASN . 31.2 m120 -64.83 -43.71 92.18 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.405 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.61 -9.03 58.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.938 0.399 . . . . 0.0 110.511 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD2' ' NE1' ' A' ' 53' ' ' TRP . 42.6 t0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.549 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.703 ' NZ ' ' NH2' ' A' ' 58' ' ' ARG . 6.4 mtmp? . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.882 0.372 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.67 143.42 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.3 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.4 p -82.48 163.14 21.78 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -55.92 -40.01 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.908 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.683 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 98.8 m-20 -65.6 -47.32 76.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.368 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.83 -40.88 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.469 0.652 . . . . 0.0 109.277 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.617 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.5 t-105 -62.61 -45.02 94.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.357 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.587 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 69.9 m-20 -54.15 -40.33 67.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.299 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.683 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 4.6 mp0 -65.19 -42.02 93.97 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.561 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 42.2 tp -59.04 -39.41 81.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.532 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 29.3 mttt -61.12 -46.85 88.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.587 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.1 mp0 -60.11 -45.27 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.923 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.09 -47.33 86.81 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.4 m-30 -59.78 -46.58 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.75 -44.21 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 20.9 t -57.08 -43.84 82.54 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.01 93.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.581 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 13.1 mm -75.76 -40.31 39.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.989 0.423 . . . . 0.0 110.76 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.589 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.82 -30.93 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -78.57 -42.02 30.36 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.732 0.301 . . . . 0.0 111.23 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.642 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 56.8 p30 -78.81 171.91 14.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.135 0.493 . . . . 0.0 111.773 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -62.77 -29.77 70.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.642 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 91.5 mt-30 -49.35 -15.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.45 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HZ3' ' HG3' ' A' ' 31' ' ' LYS . 4.6 ptmm? -56.9 -33.83 67.31 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.063 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.71 -36.7 83.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.28 0.562 . . . . 0.0 109.766 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.13 -39.83 94.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.491 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.09 -41.92 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.384 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.052 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.524 HD22 ' HG ' ' A' ' 47' ' ' LEU . 11.2 p30 . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 120.576 0.226 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' LEU . 60.4 mt-30 63.38 42.25 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 45' ' ' ASN . 12.0 mt -37.91 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.714 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -58.74 -56.68 19.06 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.7 mp -69.1 -41.01 78.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.272 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.35 -45.58 91.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.079 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 22.2 m170 -60.23 -48.89 79.8 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.456 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -61.1 -46.93 88.6 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.516 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.08 -53.05 62.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.91 -49.95 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.617 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 88.2 m-20 -58.11 -43.97 87.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 56' ' ' ARG . 39.2 ttp180 -61.35 -31.53 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.367 . . . . 0.0 110.79 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 60' ' ' MET . 4.2 m-70 -105.46 16.28 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.792 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.703 ' NH2' ' NZ ' ' A' ' 8' ' ' LYS . 13.2 ptm180 -54.24 -36.85 64.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -57.39 -27.03 61.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.678 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 11.5 ptm -57.03 -29.4 63.34 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.756 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.402 ' HA ' ' HE1' ' A' ' 64' ' ' TRP . 9.0 p -62.24 -28.52 69.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.888 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.96 -13.26 62.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.44 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 8.4 mttp -87.83 17.96 4.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.678 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -167.0 -45.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.148 178.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 tttm 69.05 -7.16 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.402 . . . . 0.0 110.231 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 64' ' ' TRP . 21.3 p -82.46 -156.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.238 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -133.0 -63.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.914 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.95 -37.43 82.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 111.411 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.488 ' HB2' ' HG ' ' A' ' 66' ' ' SER . 69.4 m-20 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.877 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 64' ' ' TRP . 63.2 mt -58.74 -42.46 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 48.3 mt -55.85 -43.2 76.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.696 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.594 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 71.1 m-70 -60.66 -46.43 90.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.287 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -61.66 -51.71 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.531 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD13 ' N ' ' A' ' 74' ' ' LEU . 10.7 mp -56.57 -35.4 68.13 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.761 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 70.0 m-20 -56.29 -49.2 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.097 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.594 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 23.5 mp0 -65.6 -37.42 86.58 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.549 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -70.02 -36.9 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.2 t-105 -57.75 -47.86 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.41 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 79' ' ' ASN . 1.6 m120 -69.63 -34.35 73.93 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.261 0.553 . . . . 0.0 109.989 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -81.92 -7.69 59.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.672 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 t0 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.314 179.848 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HD2' HH22 ' A' ' 58' ' ' ARG . 17.4 pttp . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -75.1 141.49 43.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.032 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.7 p -84.59 162.28 19.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.501 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -54.16 -42.46 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.727 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -65.92 -45.83 80.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.498 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.57 -41.4 98.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 109.577 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 4.6 t-105 -63.6 -47.95 79.34 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.96 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.512 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 5.9 m120 -54.03 -39.33 66.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.958 0.408 . . . . 0.0 110.18 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -63.27 -43.15 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.587 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 67.0 tp -60.65 -38.16 83.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.684 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HD3' ' HD1' ' A' ' 51' ' ' HIS . 35.6 mttt -60.78 -45.33 94.79 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.663 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.512 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.5 mp0 -60.55 -44.04 96.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.916 0.388 . . . . 0.0 110.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.41 -42.35 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.53 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.475 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.1 m-30 -67.26 -47.98 69.09 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.22 -45.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 27' ' ' GLU . 27.4 t -55.2 -43.03 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . -59.6 -32.53 73.86 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 11.3 mm -73.45 -43.97 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.567 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -81.4 -34.22 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.917 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.0 mt-10 -76.25 -44.33 37.85 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.059 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 40.9 t30 -79.47 167.69 20.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -57.51 -24.43 55.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.237 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -54.62 -14.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.386 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' CA ' ' O ' ' A' ' 25' ' ' ILE . 15.2 pttp -54.05 -41.64 68.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.507 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 51.1 p30 -65.43 -34.93 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.697 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -65.92 -39.34 90.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -60.5 -41.13 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.254 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 m120 . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' LEU . 7.8 mt-30 65.35 42.13 4.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.796 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.1 mt -43.85 -55.89 4.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.115 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -59.3 -53.92 52.73 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 10.0 mp -67.65 -39.45 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.822 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 46' ' ' GLN . 5.3 tt -59.94 -45.87 91.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.851 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.696 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 56.2 m-70 -56.89 -48.66 77.67 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.576 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 10.5 mtmp? -60.91 -46.18 91.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.278 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -55.6 -51.28 67.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.515 0.674 . . . . 0.0 109.423 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.459 HD12 ' CE2' ' A' ' 21' ' ' PHE . 15.2 tp -57.29 -53.09 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.85 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -54.32 -44.77 72.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.117 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.415 ' C ' ' HD1' ' A' ' 57' ' ' HIS . 44.5 ttp180 -65.65 -31.64 72.76 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.918 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.573 ' O ' ' CG ' ' A' ' 60' ' ' MET . 1.8 m-70 -110.18 16.9 21.48 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.403 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.58 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.9 ptm180 -52.9 -34.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.41 -26.44 63.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.095 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.17 -30.28 62.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.958 -179.497 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.58 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 30.4 p -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.0 111.441 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -72.65 -13.1 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.657 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 48.4 mttp -86.45 18.96 2.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.04 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.994 178.548 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm 56.12 3.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.608 ' H ' ' C ' ' A' ' 64' ' ' TRP . 87.6 p -83.15 177.65 8.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -115.56 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.916 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.89 -39.9 91.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.404 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 42.4 m-20 -62.06 -43.94 97.76 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.28 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.606 ' CD1' ' O ' ' A' ' 66' ' ' SER . 34.0 mt -61.86 -41.51 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.45 -40.13 74.3 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.121 0.486 . . . . 0.0 110.362 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -61.23 -44.2 97.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.174 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.96 -52.25 65.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.347 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.2 mp -58.28 -37.82 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.218 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.84 -43.36 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.393 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -63.87 -40.97 97.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.498 HE21 ' HA ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -69.6 -38.06 77.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.291 0.567 . . . . 0.0 109.602 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -41.89 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.392 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -63.72 -41.71 98.03 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.28 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -82.06 -0.96 46.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.711 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HZ3' ' NH1' ' A' ' 58' ' ' ARG . 25.3 mmtp . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.026 0.441 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -77.26 144.19 38.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.294 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 p -85.46 163.04 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.34 -43.08 70.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.171 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -65.14 -45.01 86.8 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.055 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -65.55 -41.23 93.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.568 0.699 . . . . 0.0 109.534 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.538 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.6 t-105 -61.92 -46.11 90.77 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.004 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.525 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 97.5 m-20 -55.75 -38.93 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 110.802 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.6 -42.96 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD11 ' CE1' ' A' ' 21' ' ' PHE . 47.9 tp -60.89 -38.96 87.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.538 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.562 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 30.2 mttm -59.63 -45.4 92.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.525 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -62.05 -42.07 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.736 -179.533 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 88.9 m-20 -61.62 -46.07 91.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.634 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.446 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.6 m-30 -61.92 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.83 -50.25 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.111 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.3 t -56.68 -42.44 79.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.88 -34.96 85.17 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.465 HD12 ' CH2' ' A' ' 78' ' ' TRP . 89.9 mt -74.41 -30.69 26.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.281 . . . . 0.0 111.493 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.591 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.71 -25.67 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.899 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.43 -23.83 34.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.695 ' ND2' ' CG ' ' A' ' 30' ' ' GLN . 42.7 p-10 -105.32 173.7 6.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.398 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.47 -26.59 65.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.695 ' CG ' ' ND2' ' A' ' 28' ' ' ASN . 87.5 mm-40 -53.31 -19.37 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.13 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -49.45 -36.91 23.95 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -66.19 -42.87 88.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.719 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.2 mt -62.63 -28.96 70.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.594 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.477 HG11 ' N ' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -67.59 -47.25 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.251 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.477 ' N ' HG11 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.423 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.734 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.497 ' N ' HD21 ' A' ' 45' ' ' ASN . 2.1 m120 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.833 0.349 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.429 ' OE1' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 50.21 65.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.715 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.2 mt -47.98 -53.68 15.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.384 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.39 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.88 -42.64 80.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.404 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.27 -43.95 92.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.824 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.715 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 31.8 m-70 -58.52 -49.63 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.582 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -61.26 -48.37 81.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.748 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -56.89 -53.19 60.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.7 -51.74 66.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.24 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 83.9 m-20 -58.6 -40.32 82.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.065 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.95 -33.33 75.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.844 0.354 . . . . 0.0 111.269 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 60' ' ' MET . 83.5 m-70 -110.88 18.01 19.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 3.3 ptm180 -51.55 -34.82 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.44 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.9 p-10 -57.9 -29.2 64.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.404 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.687 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -60.8 -27.14 67.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.45 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.7 p -61.56 -28.61 69.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.527 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -74.82 -11.46 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.529 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtmt -84.28 20.87 1.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.256 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.687 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.78 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt 62.06 -0.37 0.47 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.559 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 97.2 p -89.46 161.28 16.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.189 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 20' ' ' ASP . 12.9 tttm -94.61 -62.93 1.24 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.46 -37.7 84.56 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -46.35 87.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 110.929 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.559 ' CD1' ' O ' ' A' ' 66' ' ' SER . 69.9 mt -59.72 -43.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.549 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.93 -40.14 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.187 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -60.33 -44.05 95.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HB3' ' HZ2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.83 -52.05 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.497 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 70' ' ' ILE . 6.2 mp -57.2 -40.53 77.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.811 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.62 -47.0 77.3 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -67.13 -40.56 86.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.5 -38.58 74.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.976 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.465 ' CH2' HD12 ' A' ' 25' ' ' ILE . 2.8 t-105 -54.51 -45.44 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.615 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.506 ' N ' HD21 ' A' ' 79' ' ' ASN . 1.7 m120 -63.11 -41.89 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -73.75 -28.45 61.69 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.526 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 49.8 t0 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 111.043 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.32 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -76.33 147.13 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.757 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.429 ' HG1' ' HB2' ' A' ' 13' ' ' GLU . 69.7 p -88.39 160.16 17.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.681 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.48 -41.17 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.624 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -64.74 -43.78 92.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 72.2 mt-10 -65.26 -41.51 94.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.898 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.503 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.6 t-105 -64.14 -46.39 84.31 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.551 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -57.43 -37.37 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 110.335 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 47.8 mt-30 -64.12 -44.6 91.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.209 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' CD1' ' CE1' ' A' ' 21' ' ' PHE . 34.6 tp -63.46 -37.01 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.327 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 21.8 mttm -59.06 -46.87 87.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.151 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -61.02 -44.2 97.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.481 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -59.8 -43.98 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.612 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.493 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.7 m-30 -68.04 -46.52 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.678 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.614 ' CG2' ' ND2' ' A' ' 45' ' ' ASN . 79.2 mt -57.24 -47.85 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 19' ' ' GLN . 19.1 m -55.64 -40.93 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.53 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -60.39 -32.16 76.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 21' ' ' PHE . 39.5 mm -75.62 -35.25 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -86.41 -32.36 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.696 -179.102 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.8 mt-10 -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.723 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.739 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 47.9 p-10 -99.35 175.11 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 111.74 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 31' ' ' LYS . 46.3 tt0 -63.24 -26.28 68.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.715 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.739 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 45.1 mt-30 -49.88 -11.32 0.06 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.989 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 29' ' ' GLU . 5.1 ttmm -51.61 -38.14 53.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.635 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -53.12 -31.31 41.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.92 -36.03 78.23 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.139 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.497 HG23 HE21 ' A' ' 46' ' ' GLN . 20.2 t -59.05 -44.58 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.133 -179.806 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.614 ' ND2' ' CG2' ' A' ' 22' ' ' ILE . 23.1 m-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.895 0.378 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.497 HE21 HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 51.91 55.48 9.22 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 mt -46.9 -51.02 17.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.775 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.55 -49.75 76.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.651 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.8 mm? -69.54 -41.42 75.96 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.152 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.54 -43.91 93.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.922 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -58.83 -47.69 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.482 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.2 -45.63 92.51 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -57.56 -55.38 35.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.8 tp -55.43 -50.21 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.58 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.19 -47.06 82.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 tpt85 -61.74 -31.53 71.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.769 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 60' ' ' MET . 95.2 m-70 -110.52 15.52 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.497 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.564 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.7 ptm180 -51.15 -36.26 39.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -55.69 -31.94 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.525 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.0 ptt? -58.23 -27.81 64.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.567 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.7 p -61.01 -27.19 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.542 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -71.66 -16.19 62.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 47.9 mttp -87.45 19.92 3.1 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.716 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.0 -49.38 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.092 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 62.02 4.07 1.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.652 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 37.0 p -89.54 163.43 15.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -92.93 -66.26 0.94 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -63.75 -38.67 91.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.54 ' HB3' ' HG ' ' A' ' 66' ' ' SER . 45.2 t0 -62.8 -45.13 94.08 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.117 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.652 ' CD1' ' O ' ' A' ' 66' ' ' SER . 56.4 mt -60.63 -43.76 95.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.157 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 67.5 mt -53.8 -40.25 66.17 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.949 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.429 ' O ' ' OE2' ' A' ' 76' ' ' GLU . 17.6 t-80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.154 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -63.32 -52.84 60.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.215 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.8 mp -57.13 -37.17 71.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.251 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.723 ' ND2' HE22 ' A' ' 30' ' ' GLN . 2.5 m120 -58.21 -47.71 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.357 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -65.87 -38.84 89.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.295 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.547 ' OE1' ' O ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -69.33 -40.15 77.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.024 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.558 ' O ' ' OD2' ' A' ' 81' ' ' ASP . 1.3 t-105 -55.46 -49.91 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.984 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -67.42 -41.08 85.43 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -86.8 5.14 38.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.825 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.558 ' OD2' ' O ' ' A' ' 78' ' ' TRP . 35.0 p30 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.227 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.826 0.346 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -77.68 144.2 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.393 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 p -88.33 160.08 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.141 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -53.75 -41.71 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.588 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 90.9 m-20 -66.13 -45.49 80.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.613 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.88 -39.82 94.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.406 0.622 . . . . 0.0 109.521 178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.428 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.9 t-105 -59.97 -46.09 90.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.589 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.523 ' N ' HD21 ' A' ' 15' ' ' ASN . 1.2 m120 -57.08 -37.7 72.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.586 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.6 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.91 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.215 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.79 -36.85 85.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.232 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.524 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 44.8 mttt -58.09 -42.77 86.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.0 -40.6 98.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.456 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB3' ' HZ3' ' A' ' 67' ' ' LYS . 77.2 m-20 -59.43 -44.83 92.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.909 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CE1' ' CD2' ' A' ' 74' ' ' LEU . 32.5 m-85 -65.28 -47.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.1 mt -58.39 -42.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -59.18 -46.08 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.537 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.37 -34.53 81.06 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.527 ' HA ' HD22 ' A' ' 28' ' ' ASN . 45.3 mm -71.63 -43.93 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.138 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.611 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.11 -28.1 60.11 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.551 -179.59 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -77.34 -38.53 50.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.235 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.542 HD21 ' C ' ' A' ' 28' ' ' ASN . 0.1 OUTLIER -92.56 150.62 20.63 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 121.268 0.556 . . . . 0.0 111.046 -179.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.567 ' C ' ' H ' ' A' ' 31' ' ' LYS . 77.9 tt0 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.186 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -48.0 -9.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.236 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.567 ' H ' ' C ' ' A' ' 29' ' ' GLU . 42.4 tttt -53.48 -32.36 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.21 -37.36 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.515 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 81.9 mt -63.29 -36.94 85.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.033 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -65.13 -41.1 90.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.194 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' N ' HG11 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.151 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.58 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 2.5 p-10 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.563 0.22 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.58 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 15.6 pt20 49.81 58.09 5.82 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.314 0.578 . . . . 0.0 110.701 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.0 mt -45.33 -52.37 9.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.568 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.94 -49.25 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD11 ' H ' ' A' ' 49' ' ' LEU . 6.5 mp -65.57 -40.82 93.19 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.037 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.06 -44.62 91.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.61 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 64.6 m-70 -61.15 -48.54 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.09 -45.31 93.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.048 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -57.41 -52.67 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.317 0.579 . . . . 0.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 21' ' ' PHE . 13.5 tp -55.82 -51.95 65.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.283 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.03 -42.67 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.561 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -61.61 -32.44 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 111.58 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 60' ' ' MET . 47.8 m-70 -115.48 21.73 13.78 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.264 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.0 ptm180 -55.66 -35.77 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 60' ' ' MET . 25.6 p-10 -59.5 -26.76 65.56 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.738 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.3 ptt? -58.95 -28.11 65.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.384 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.5 p -59.45 -29.77 68.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.572 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.349 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 3.8 mtpm? -85.3 21.7 1.66 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.738 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.68 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 178.096 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 60.73 5.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.234 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.442 ' OG ' ' HB3' ' A' ' 69' ' ' ASP . 60.2 p -90.03 173.74 8.03 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' HZ3' ' HB3' ' A' ' 20' ' ' ASP . 19.2 tptt -101.4 -66.48 0.91 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 111.914 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 9.2 pt-20 -62.41 -41.83 98.98 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 68' ' ' GLU . 36.8 t0 -60.13 -45.76 91.94 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.666 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 64' ' ' TRP . 45.8 mt -58.75 -44.49 90.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.813 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.573 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 66.4 mt -57.08 -39.61 75.32 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.062 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.619 ' NE2' ' OE2' ' A' ' 76' ' ' GLU . 47.3 t-80 -60.35 -47.18 87.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.6 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.606 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.8 mptp? -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.774 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.521 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 6.6 mp -58.81 -35.38 72.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.573 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 18.1 m120 -55.59 -51.07 68.37 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.276 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.619 ' OE2' ' NE2' ' A' ' 72' ' ' HIS . 9.0 mp0 -67.32 -35.75 80.07 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.606 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 9.6 mp0 -72.89 -38.48 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.012 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -59.29 -45.13 92.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.228 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.515 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 1.7 m120 -63.39 -42.19 98.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -86.07 1.03 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.511 -179.771 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 121.109 0.48 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -75.86 153.1 37.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.503 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.556 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 71.1 p -83.07 159.7 22.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.704 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -54.42 -40.65 68.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.251 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.9 -45.97 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.045 0.45 . . . . 0.0 110.253 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.556 ' H ' ' HG1' ' A' ' 10' ' ' THR . 97.2 mt-10 -66.6 -38.55 87.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.707 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.479 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 2.2 t-105 -61.46 -47.54 85.24 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.008 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HA ' ' HZ1' ' A' ' 18' ' ' LYS . 85.7 m-20 -55.48 -40.94 72.31 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.085 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -64.22 -46.24 84.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.6 tp -63.66 -38.11 89.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.81 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HD2' ' ND1' ' A' ' 51' ' ' HIS . 8.6 mtmp? -61.51 -45.42 94.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.088 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -61.5 -40.84 96.05 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.728 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.49 -47.57 83.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.449 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 4.0 m-30 -61.47 -43.75 98.31 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.48 HG22 HD21 ' A' ' 45' ' ' ASN . 82.5 mt -57.56 -48.49 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.963 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -56.47 -43.76 79.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.416 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.35 -34.95 87.12 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.468 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 29.1 mm -69.89 -42.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 111.037 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.92 -26.73 49.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -72.42 -32.89 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.642 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -91.38 153.81 19.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 111.437 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.67 -26.94 65.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 32' ' ' ASP . 96.5 mt-30 -56.56 -22.39 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.59 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 34' ' ' VAL . 50.4 pttt -39.97 -28.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.153 0.501 . . . . 0.0 110.592 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' GLN . 95.8 m-20 -58.42 -33.7 69.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.1 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OD1' ' A' ' 79' ' ' ASN . 64.8 mt -62.8 -43.98 97.38 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.158 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.4 p -70.97 -30.51 41.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.476 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.737 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.48 HD21 HG22 ' A' ' 22' ' ' ILE . 79.7 m-20 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.978 0.418 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.539 ' O ' ' C ' ' A' ' 47' ' ' LEU . 20.6 mt-30 62.31 42.25 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.987 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.673 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 54.5 mt -31.75 -54.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.113 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.16 -58.81 6.41 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -64.62 -39.84 94.42 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.966 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 tt -58.23 -43.61 87.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 9.3 m-70 -57.57 -48.03 80.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.815 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -59.6 -46.38 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.513 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.572 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 56.3 t90 -58.53 -55.04 40.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.731 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.9 tp -55.4 -48.98 73.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.121 -178.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -56.04 -46.64 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.682 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.04 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.208 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 53' ' ' TRP . 29.8 m80 -104.51 9.4 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.358 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 54' ' ' LEU . 12.1 ptm180 -54.24 -36.69 63.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.954 0.407 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.97 -33.72 70.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.762 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.744 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.6 ppp? -57.84 -27.21 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.332 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 60' ' ' MET . 8.6 p -61.63 -27.79 68.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -71.98 -14.17 61.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 11.4 mttp -87.19 20.35 2.79 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.864 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.744 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.91 -53.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.13 178.542 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? 52.69 10.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.576 ' H ' ' C ' ' A' ' 64' ' ' TRP . 16.6 p -86.59 10.41 15.56 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.078 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.96 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' SER . 83.8 tt0 -57.52 -39.3 76.25 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.795 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.649 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -61.68 -41.19 97.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.572 HG12 ' CD1' ' A' ' 64' ' ' TRP . 33.9 mt -59.86 -44.03 93.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.451 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 mt -56.76 -41.47 77.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.111 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -62.38 -43.63 98.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.899 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.649 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 42.7 mmtm -62.98 -51.82 65.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 74' ' ' LEU . 8.1 mp -55.55 -42.37 74.56 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.493 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.52 -45.47 88.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.369 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.97 -40.62 96.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.091 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.459 ' H ' ' HG2' ' A' ' 77' ' ' GLN . 8.8 pt20 -76.57 -32.89 58.43 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.194 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.468 ' CZ3' HD13 ' A' ' 25' ' ' ILE . 1.8 t-105 -54.62 -44.32 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' OD1' ' CD1' ' A' ' 33' ' ' LEU . 71.8 m-20 -70.46 -41.48 72.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.496 ' NZ ' ' HB2' ' A' ' 80' ' ' LYS . 10.2 mtmp? -82.67 1.9 36.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.102 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.858 -179.561 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.12 136.94 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.358 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.635 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 72.9 p -81.28 159.07 24.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.085 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.16 -40.2 70.38 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.094 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -64.21 -43.88 93.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.635 ' H ' ' HG1' ' A' ' 10' ' ' THR . 75.0 mm-40 -69.01 -37.5 78.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.324 0.583 . . . . 0.0 109.619 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.455 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -63.61 -47.32 81.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.348 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -54.4 -40.69 68.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.56 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -62.9 -42.46 99.78 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HG ' ' CE2' ' A' ' 21' ' ' PHE . 25.2 tp -62.28 -37.79 86.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.352 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.539 ' HZ2' ' ND1' ' A' ' 51' ' ' HIS . 22.5 mttm -60.22 -45.24 93.87 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.519 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' SER . 94.0 mm-40 -60.24 -39.86 88.21 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.61 -43.56 80.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.641 ' CE1' ' CD2' ' A' ' 74' ' ' LEU . 30.3 m-85 -69.06 -53.4 20.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.017 0.437 . . . . 0.0 110.326 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 22' ' ' ILE . 67.5 mt -59.38 -38.36 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.98 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' GLN . 17.6 t -60.66 -49.43 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.051 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.59 -21.56 74.69 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.3 mm -73.56 -41.45 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.419 . . . . 0.0 110.71 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.541 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 1.5 pp -85.7 -24.77 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.89 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -74.55 -38.39 62.74 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.474 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.416 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 51.1 p30 -91.86 162.12 14.56 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.731 0.3 . . . . 0.0 110.973 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.551 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.5 tt0 -57.91 -27.4 63.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.996 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.689 HE22 ' CB ' ' A' ' 75' ' ' ASN . 43.2 mt-30 -51.49 -7.57 0.05 OUTLIER 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.836 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 29' ' ' GLU . 41.9 tttm -55.68 -37.74 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.353 0.596 . . . . 0.0 109.727 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 60.1 t0 -61.0 -36.32 79.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.703 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.422 HD13 HD22 ' A' ' 79' ' ' ASN . 26.2 mt -65.76 -46.09 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG21 ' NE2' ' A' ' 46' ' ' GLN . 2.7 p -64.81 -35.54 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.181 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.4 m120 . . . . . 0 C--O 1.223 -0.328 0 CA-C-O 119.523 -0.275 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.661 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 58.52 44.76 17.38 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.495 0.664 . . . . 0.0 111.002 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 2.6 mt -43.75 -53.93 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.72 -51.44 69.78 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.13 -38.22 89.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.544 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -44.59 91.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.956 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 43.3 m-70 -59.19 -49.19 78.82 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.601 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -59.5 -46.83 87.71 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -58.0 -53.57 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.502 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.506 HD13 ' CD2' ' A' ' 21' ' ' PHE . 13.8 tp -58.23 -52.32 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.113 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -59.65 -43.54 93.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.077 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.754 HH21 ' HE2' ' A' ' 57' ' ' HIS . 58.8 ttp180 -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.754 ' HE2' HH21 ' A' ' 56' ' ' ARG . 94.8 m-70 -109.39 17.93 20.95 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.966 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.66 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.2 ptm180 -56.06 -33.31 64.9 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.733 ' OD1' ' N ' ' A' ' 60' ' ' MET . 35.9 p30 -56.31 -27.68 56.35 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.733 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 9.5 ptt? -59.58 -30.17 68.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.132 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.7 p -66.15 -31.06 71.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.742 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.53 -14.96 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -89.08 -75.22 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.217 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.608 ' O ' ' C ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -84.14 14.18 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.118 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.608 ' C ' ' O ' ' A' ' 64' ' ' TRP . 17.3 pttm -13.12 82.0 0.0 OUTLIER 'General case' 0 C--O 1.231 0.13 0 O-C-N 123.539 0.524 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 64' ' ' TRP . 16.4 p -153.66 177.89 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.453 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -107.73 -76.26 0.62 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -63.26 -35.26 79.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 110.512 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.443 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 80.9 m-20 -60.69 -46.49 90.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.377 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 66' ' ' SER . 29.8 mt -59.38 -38.44 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.803 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 34.0 mt -55.47 -41.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.033 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.72 -46.95 88.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.939 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 1.1 mptp? -62.76 -52.51 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.368 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.641 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 4.8 mp -57.98 -36.29 72.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.335 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.689 ' CB ' HE22 ' A' ' 30' ' ' GLN . 94.4 m-20 -56.91 -48.48 78.13 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.157 0.503 . . . . 0.0 110.026 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.24 -38.97 92.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.201 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.47 -41.65 79.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.598 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -54.83 -45.11 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.785 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.616 ' N ' HD21 ' A' ' 79' ' ' ASN . 1.6 m120 -70.93 -37.02 72.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -60.17 -43.62 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.385 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.601 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.937 0.399 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -77.24 147.68 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.433 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 68.1 p -81.39 157.53 24.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.201 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -51.5 -42.26 61.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.826 0.346 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.741 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.1 m-20 -67.2 -48.13 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.141 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.433 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 98.7 mt-10 -64.82 -37.43 87.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 109.661 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.564 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 6.1 t-105 -62.16 -46.15 90.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.744 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 3.2 m120 -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.752 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.741 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.1 mp0 -64.45 -43.52 94.01 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.003 0.43 . . . . 0.0 109.926 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.52 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.8 tp -61.07 -39.74 91.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.583 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.1 mttt -59.57 -44.52 93.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.685 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 15' ' ' ASN . 94.3 mm-40 -61.72 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.468 ' HB3' ' HZ3' ' A' ' 67' ' ' LYS . 90.3 m-20 -61.49 -45.78 92.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.131 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.66 -45.12 94.25 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.197 0.523 . . . . 0.0 109.637 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.46 HG22 ' CB ' ' A' ' 45' ' ' ASN . 78.3 mt -57.5 -49.8 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' GLU . 8.1 t -54.46 -40.6 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.29 83.72 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.87 -34.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -89.48 -28.52 19.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.466 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' SER . 99.3 mt-10 -76.6 -37.17 56.88 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.739 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 38.3 t-20 -89.46 157.84 17.95 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.446 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 68.3 tt0 -58.81 -22.47 58.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 32' ' ' ASP . 64.3 mm-40 -52.13 -19.46 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.12 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -44.73 -21.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' GLN . 85.8 m-20 -59.21 -35.85 74.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.981 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 33' ' ' LEU . 8.0 mp -54.71 -54.13 45.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -63.49 -40.0 87.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.297 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.036 179.87 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.46 ' CB ' HG22 ' A' ' 22' ' ' ILE . 16.3 m120 . . . . . 0 C--O 1.232 0.164 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 66.99 38.03 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.3 mt -38.25 -61.18 0.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -58.26 -52.2 66.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -69.13 -41.62 77.11 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.309 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 5.0 tt -58.17 -44.65 88.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.464 ' CG ' ' HD3' ' A' ' 18' ' ' LYS . 17.6 m170 -59.4 -50.0 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.599 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -59.16 -45.91 89.76 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.425 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -57.63 -55.88 29.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 tp -54.59 -48.72 71.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.564 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 94.4 m-20 -56.42 -41.85 77.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.391 -179.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.777 HH21 ' HE2' ' A' ' 57' ' ' HIS . 54.0 ttp180 -62.45 -31.03 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.909 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.777 ' HE2' HH21 ' A' ' 56' ' ' ARG . 92.1 m-70 -109.96 22.65 15.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.626 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -55.08 -34.79 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.351 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.06 -29.61 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.334 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.2 ptt? -55.42 -34.87 64.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.362 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.626 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -63.65 -32.39 73.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 109.69 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -73.12 -21.43 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -74.91 -53.15 9.53 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.257 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.717 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -92.61 -59.55 2.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.339 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 64' ' ' TRP . 6.2 tttp 97.58 -27.41 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.787 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 33.1 p -86.75 130.79 34.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.821 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HZ3' ' HB3' ' A' ' 20' ' ' ASP . 79.3 tttt -59.87 -50.88 72.05 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -60.47 -43.27 97.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.86 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 55.6 t0 -60.49 -44.73 95.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.118 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 74' ' ' LEU . 47.7 mt -57.76 -46.77 86.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.753 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.455 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 71.7 mt -55.44 -42.55 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -59.9 -43.7 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.49 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 14.8 mmtm -63.88 -49.24 73.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 74' ' ' LEU . 3.8 mp -57.7 -42.67 84.19 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.465 HD21 ' N ' ' A' ' 75' ' ' ASN . 2.6 m120 -56.06 -49.29 74.16 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.257 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -67.91 -40.65 83.37 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ASP . 72.2 tp60 -72.64 -46.09 55.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.158 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.2 t90 -54.23 -43.39 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.409 ' OD1' ' CD2' ' A' ' 33' ' ' LEU . 96.6 m-20 -58.85 -46.23 88.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.063 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -85.74 0.16 53.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' GLN . 48.7 t0 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.107 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.933 0.396 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -76.44 143.08 40.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -84.22 161.62 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 87.1 m-20 -52.37 -42.43 63.96 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.079 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.47 -47.7 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.3 -38.97 91.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 109.866 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.447 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.5 t-105 -61.28 -45.56 93.98 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.668 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.605 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.6 m120 -57.85 -38.65 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.278 0.561 . . . . 0.0 110.071 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -63.38 -43.59 97.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.285 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.28 -40.25 93.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.505 ' HZ2' ' HA ' ' A' ' 51' ' ' HIS . 26.5 mttm -57.74 -44.03 85.76 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.677 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 3.5 mp0 -63.82 -40.52 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.741 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.675 ' CB ' ' HZ1' ' A' ' 67' ' ' LYS . 51.4 m-20 -62.2 -42.88 99.7 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.815 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -64.12 -48.32 76.56 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 64.3 mt -58.77 -50.0 80.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.332 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -53.89 -42.89 69.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.117 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.12 -34.1 86.7 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.503 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 87.2 mt -75.4 -36.8 36.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.726 0.298 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.23 -26.6 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 110.17 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.576 ' OE1' ' O ' ' A' ' 27' ' ' GLU . 3.3 tm-20 -73.43 -38.34 65.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.712 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.503 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 53.7 p30 -94.54 171.28 8.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.605 0.717 . . . . 0.0 112.157 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -66.26 -21.83 66.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.065 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.492 ' CD ' ' ND2' ' A' ' 28' ' ' ASN . 78.0 mt-30 -52.06 -17.34 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.818 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 12.0 ttpt -49.25 -23.05 1.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.724 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.72 -34.13 73.93 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.406 HD13 ' H ' ' A' ' 33' ' ' LEU . 10.7 mp -51.78 -54.09 32.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.794 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 2.6 p -64.88 -34.8 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.445 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.569 ' OD1' ' CG2' ' A' ' 22' ' ' ILE . 16.8 m120 . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 120.553 0.216 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 50' ' ' LEU . 20.5 mt-30 64.45 41.88 5.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 8.9 mt -50.76 -56.46 11.95 Favored 'General case' 0 N--CA 1.461 0.111 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -55.14 -48.3 73.88 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.668 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.665 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -68.46 -38.11 80.79 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.593 178.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' GLN . 8.0 mt -59.4 -46.58 88.28 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.234 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.505 ' HA ' ' HZ2' ' A' ' 18' ' ' LYS . 93.4 m-70 -57.55 -49.28 76.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -63.8 -52.92 58.04 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.614 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -59.97 -56.34 22.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 tp -56.9 -50.56 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.001 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 91.7 m-20 -57.35 -40.26 77.69 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.182 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.511 HH21 ' HE2' ' A' ' 57' ' ' HIS . 57.7 ttp180 -63.76 -31.83 73.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.406 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.511 ' HE2' HH21 ' A' ' 56' ' ' ARG . 63.3 m-70 -112.68 20.82 16.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.192 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.659 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.8 ptm180 -53.82 -34.46 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.707 ' OD1' ' N ' ' A' ' 60' ' ' MET . 28.0 p30 -60.33 -28.65 68.31 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.213 0.53 . . . . 0.0 111.074 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.799 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 2.1 ptt? -55.12 -35.92 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.47 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.3 p -61.82 -34.56 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.996 0.426 . . . . 0.0 110.757 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 76.9 mm-40 -76.01 -18.33 59.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -76.74 -55.25 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.967 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.799 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -83.65 -42.0 17.16 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.141 179.445 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.5 tttm 64.99 41.36 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.942 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' ILE . 11.0 p -150.77 122.82 8.22 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.916 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.675 ' HZ1' ' CB ' ' A' ' 20' ' ' ASP . 32.8 tttp -58.92 -60.26 4.14 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -61.94 -38.14 87.34 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -177.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -63.85 -43.1 97.15 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.195 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.553 HG12 ' CD1' ' A' ' 64' ' ' TRP . 92.7 mt -60.55 -41.73 88.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.952 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.12 -40.64 81.76 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.303 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -57.51 -44.56 85.12 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.205 0.526 . . . . 0.0 109.784 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.1 mmtt -62.11 -47.26 85.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.969 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 7.0 mp -57.94 -40.88 81.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -56.13 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.878 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -66.6 -40.42 88.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.121 0.486 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.739 ' O ' ' N ' ' A' ' 81' ' ' ASP . 97.8 mt-30 -70.58 -38.41 74.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.269 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.442 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 2.0 t-105 -57.11 -43.75 82.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.1 -37.76 88.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -98.42 -7.15 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.376 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 77' ' ' GLN . 17.0 t0 . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.276 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.608 ' HZ3' ' CD ' ' A' ' 58' ' ' ARG . 13.7 mtpt . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -76.75 150.8 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 111.841 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.557 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 74.0 p -83.47 161.14 21.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.724 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -56.23 -43.53 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.611 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.5 m-20 -63.35 -46.27 87.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.164 0.507 . . . . 0.0 110.464 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.557 ' H ' ' HG1' ' A' ' 10' ' ' THR . 99.8 mt-10 -64.02 -40.83 97.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.594 0.712 . . . . 0.0 109.453 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.48 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -62.16 -45.87 91.49 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.598 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.572 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 2.6 m120 -55.29 -37.52 67.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.218 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.611 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 6.2 mp0 -64.61 -42.08 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.539 ' CD1' ' CE1' ' A' ' 21' ' ' PHE . 45.8 tp -62.36 -37.4 85.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.289 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 30.6 mttt -61.49 -48.13 82.49 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.572 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.4 mp0 -59.95 -43.75 94.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.914 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -60.99 -44.27 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.539 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.5 m-30 -65.98 -47.31 74.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.158 0.504 . . . . 0.0 109.8 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.463 HD13 ' NE2' ' A' ' 19' ' ' GLN . 73.3 mt -57.33 -49.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 47.4 t -58.26 -44.08 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.729 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.26 90.12 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.577 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 24.2 mm -70.37 -37.6 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.586 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.77 -26.47 49.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.516 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 23' ' ' SER . 75.5 mm-40 -78.02 -42.94 30.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.215 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.577 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 55.8 p30 -77.46 170.25 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.652 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.14 -29.0 70.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.458 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.643 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -50.81 -15.96 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.389 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 2.9 pttm -53.65 -40.55 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.032 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 55.7 p30 -66.65 -34.26 77.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.681 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 7.9 tt -63.11 -42.18 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.631 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -19.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.001 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.758 -179.474 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.549 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 75.5 m-20 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 120.718 0.294 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 10.6 pt20 47.31 58.32 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.386 0.612 . . . . 0.0 109.753 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -54.35 -46.45 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.29 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.34 -50.72 72.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.791 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' HB2' HE21 ' A' ' 46' ' ' GLN . 5.8 mp -68.52 -40.16 80.9 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.986 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 4.5 tt -58.24 -44.82 88.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.527 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.501 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 30.4 m170 -59.93 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.269 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -61.67 -48.04 82.63 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.041 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -56.72 -52.93 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 tp -56.98 -52.7 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.08 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -55.88 -41.26 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.171 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.77 ' NH2' ' HE2' ' A' ' 57' ' ' HIS . 55.8 ttp85 -60.31 -33.41 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.296 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.77 ' HE2' ' NH2' ' A' ' 56' ' ' ARG . 83.4 m-70 -114.84 21.24 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.473 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' CD ' ' HZ3' ' A' ' 8' ' ' LYS . 13.5 ptm180 -53.31 -34.43 57.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.093 0.473 . . . . 0.0 110.454 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.66 -29.14 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.722 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 5.3 ptt? -59.91 -27.36 66.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.237 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 15.7 p -62.09 -28.58 69.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.81 -11.79 60.49 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.486 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 5.2 mtpm? -85.86 18.45 2.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.722 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.52 -45.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.358 178.659 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt 70.9 -19.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.51 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.564 ' H ' ' C ' ' A' ' 64' ' ' TRP . 97.4 p -89.07 138.41 31.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 47.2 tttm -66.07 -51.49 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.256 -0.884 . . . . 0.0 113.214 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -60.1 -37.82 81.12 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.927 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' CG ' ' HG ' ' A' ' 66' ' ' SER . 81.1 m-20 -64.31 -47.46 79.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.774 -0.77 . . . . 0.0 109.743 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.492 HG12 ' CD1' ' A' ' 64' ' ' TRP . 88.2 mt -59.82 -43.57 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.361 -0.535 . . . . 0.0 110.871 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 73.1 mt -53.81 -42.23 68.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.51 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.541 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 7.0 mptt -64.4 -50.88 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.6 mp -57.28 -39.6 76.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.747 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -58.01 -47.09 84.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.07 -41.72 97.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.621 ' O ' ' N ' ' A' ' 81' ' ' ASP . 76.8 mt-30 -68.77 -43.2 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -45.13 77.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.219 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 79' ' ' ASN . 2.0 m120 -66.4 -42.76 87.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 81' ' ' ASP . 67.9 mttt -89.17 -4.8 58.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.531 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 77' ' ' GLN . 41.8 p30 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.6 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -75.38 151.82 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 111.419 -179.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.457 ' HG1' ' HB2' ' A' ' 13' ' ' GLU . 58.2 p -87.53 160.42 18.24 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.173 179.511 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.02 -42.44 72.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.202 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.6 -47.16 82.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 110.599 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 77.2 mm-40 -65.49 -39.24 91.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.027 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.433 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 7.5 t-105 -62.48 -43.8 97.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.741 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -55.43 -43.73 75.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.798 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 50.2 mt-30 -60.1 -39.76 87.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.677 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.428 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 31.1 tp -65.6 -39.28 91.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.821 178.525 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 30.3 mttt -58.27 -42.11 85.77 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 179.468 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -61.26 -38.44 86.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.1 -46.34 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.103 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' A' ' 54' ' ' LEU . 37.4 m-85 -64.07 -46.56 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.879 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.517 ' CG2' HD21 ' A' ' 45' ' ' ASN . 94.9 mt -57.62 -50.93 75.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 m -56.76 -38.54 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.188 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.46 -35.49 66.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.428 HD13 HE21 ' A' ' 30' ' ' GLN . 8.7 mm -71.62 -41.09 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.372 -0.414 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.608 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -77.04 -28.1 54.67 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.22 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -79.23 -33.51 43.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.661 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 56.1 t-20 -100.13 156.68 17.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.454 0.645 . . . . 0.0 111.534 -179.084 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.661 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 22.4 tp10 -55.2 -21.18 12.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.555 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.428 HE21 HD13 ' A' ' 25' ' ' ILE . 27.6 mt-30 -48.41 -11.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 29' ' ' GLU . 16.8 pttp -56.78 -34.35 67.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.507 . . . . 0.0 110.186 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.16 -42.93 99.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.391 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.9 -37.06 83.66 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.258 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 35' ' ' ALA . 0.3 OUTLIER -65.01 -38.0 81.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.111 -179.823 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.517 HD21 ' CG2' ' A' ' 22' ' ' ILE . 45.8 m-80 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 19.0 pt20 46.84 65.7 1.16 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.674 0.75 . . . . 0.0 110.148 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 15.2 mt -53.58 -47.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.795 -179.422 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -58.78 -47.36 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.527 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' HB2' HE21 ' A' ' 46' ' ' GLN . 57.9 mt -69.42 -42.87 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -44.33 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.044 -179.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 11.9 m170 -59.23 -48.89 79.92 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -59.95 -45.85 91.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.414 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 43.0 t90 -57.79 -57.49 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 110.641 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 21' ' ' PHE . 9.2 tp -56.85 -50.91 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.091 -178.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -55.65 -41.87 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.02 -31.2 71.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.575 ' O ' ' SD ' ' A' ' 60' ' ' MET . 97.7 m-70 -116.59 18.99 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.749 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 ptm180 -55.02 -34.64 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.574 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 59.0 t0 -55.61 -26.13 42.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 111.113 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.731 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.8 ptt? -60.39 -32.68 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 62' ' ' GLU . 14.6 p -59.52 -30.24 68.44 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 110.091 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.8 mt-10 -74.94 -13.47 60.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.296 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -85.95 -62.0 1.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.731 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -82.45 -46.63 13.23 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.89 -179.052 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp 67.09 -14.69 0.17 Allowed 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.341 0.4 . . . . 0.0 111.528 -178.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 64' ' ' TRP . 34.5 p -92.39 136.29 33.32 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.752 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -65.76 -56.16 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.13 -36.29 77.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.673 -178.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 52.9 t0 -64.7 -50.91 65.09 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.695 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.503 HG12 ' CD1' ' A' ' 64' ' ' TRP . 25.2 mt -59.23 -43.41 89.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.523 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.12 -40.75 74.21 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.675 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -61.71 -45.69 92.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 18.1 mmmt -61.68 -50.75 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.721 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.465 HD21 ' CE1' ' A' ' 21' ' ' PHE . 6.0 mp -58.65 -38.93 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.582 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 79.1 m-20 -55.47 -47.13 76.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.43 -40.82 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.66 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.626 HE21 ' NZ ' ' A' ' 80' ' ' LYS . 1.2 tp60 -68.61 -44.0 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.552 -179.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.12 -42.39 85.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.239 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -68.08 -30.9 70.19 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.156 0.503 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.626 ' NZ ' HE21 ' A' ' 77' ' ' GLN . 13.8 ttpt -91.9 -6.97 50.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.087 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' GLN . 79.3 m-20 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.584 -179.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt . . . . . 0 C--O 1.232 0.143 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -76.4 149.13 36.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.439 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -80.21 157.2 26.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.406 -178.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -53.36 -43.04 67.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.008 -179.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.64 -45.89 88.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.49 -37.63 85.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.171 179.31 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.592 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 8.1 t-105 -62.33 -45.9 91.13 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.384 179.567 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.592 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 80.2 m-20 -56.66 -39.56 73.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.192 0.52 . . . . 0.0 110.209 179.317 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.592 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 54.1 tp -60.8 -40.56 93.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.651 179.172 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.808 ' HZ3' ' CG ' ' A' ' 51' ' ' HIS . 27.9 mttt -58.67 -44.18 90.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 110.429 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.592 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -61.97 -41.78 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.511 -179.619 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -58.9 -42.44 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.02 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.442 ' CE1' HD23 ' A' ' 71' ' ' LEU . 4.9 m-30 -66.26 -45.43 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.93 -48.94 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' GLU . 8.4 t -57.13 -43.09 82.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.435 179.261 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -37.18 92.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mm -71.03 -44.52 75.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.208 -0.294 . . . . 0.0 110.208 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.567 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -71.19 -30.18 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.049 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' SER . 50.7 tp10 -76.25 -25.2 54.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.119 178.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -103.93 166.79 10.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.81 -26.93 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.03 178.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -53.21 -15.35 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -34.28 66.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -66.67 -42.26 86.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.753 ' CD2' HD21 ' A' ' 79' ' ' ASN . 9.3 mp -61.41 -36.76 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.248 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -45.71 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.839 179.265 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER . . . . . 0 CA--C 1.52 -0.208 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 4.2 pt20 46.74 58.28 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.767 0.794 . . . . 0.0 109.053 -178.605 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.699 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 5.7 mt -43.12 -53.95 4.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.796 -178.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.58 -51.17 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.539 ' HB2' HE21 ' A' ' 46' ' ' GLN . 3.5 mt -65.97 -41.32 91.33 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.828 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -58.59 -44.09 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.771 -179.294 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.808 ' CG ' ' HZ3' ' A' ' 18' ' ' LYS . 18.6 m170 -58.23 -47.95 81.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.227 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -60.29 -47.84 84.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.01 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -60.07 -52.33 65.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.307 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 21' ' ' PHE . 22.6 tp -56.73 -51.25 69.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 70.2 m-20 -55.16 -42.93 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.401 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -61.86 -28.52 69.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.468 -179.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 60' ' ' MET . 98.6 m-70 -104.19 15.9 27.39 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.786 0.327 . . . . 0.0 111.658 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.708 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.0 ptm180 -59.89 -35.82 75.65 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.201 -179.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.49 -50.67 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.802 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.752 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.1 ptm -62.97 -31.73 72.91 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.327 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.708 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.9 p -64.75 -27.89 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.443 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.18 -20.4 64.86 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 60' ' ' MET . 2.3 pttt -81.05 -66.28 0.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.785 -178.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.752 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -69.28 -32.69 72.02 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.289 -178.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp 47.06 -1.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.651 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.717 ' H ' ' C ' ' A' ' 64' ' ' TRP . 8.8 p -86.52 131.74 34.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.728 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' HD21 ' A' ' 71' ' ' LEU . 34.3 tttm -63.25 -47.68 81.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.373 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -63.18 -41.56 99.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.941 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.574 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 69.8 m-20 -62.94 -52.03 64.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.49 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 71.5 mt -62.36 -45.12 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -179.129 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.565 ' N ' HD21 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -57.13 -40.35 76.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.143 -179.572 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.614 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 78.2 t60 -61.51 -45.43 94.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.657 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 3.2 mptt -61.11 -47.97 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.717 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 8.1 mp -56.6 -46.25 80.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.279 179.761 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.513 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 1.9 m120 -54.21 -47.07 72.53 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.661 -178.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.614 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.6 mp0 -70.4 -38.52 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -69.66 -41.91 74.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.421 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.5 t-105 -55.42 -40.24 71.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.294 178.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.753 HD21 ' CD2' ' A' ' 33' ' ' LEU . 24.3 m120 -68.02 -44.42 76.52 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 179.469 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -60.89 -30.04 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.188 179.562 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.0 mttm . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.993 0.425 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -77.96 142.8 38.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.116 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' TRP . 76.1 p -84.04 160.48 20.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.822 -179.506 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -51.13 -43.39 61.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.053 -179.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 77.3 m-20 -68.06 -45.04 74.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' HB2' ' HG1' ' A' ' 10' ' ' THR . 75.9 mm-40 -66.08 -38.12 87.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.462 0.649 . . . . 0.0 109.28 178.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.491 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.1 t-105 -63.63 -48.01 79.01 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.646 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 94.1 m-20 -55.92 -41.74 75.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -60.89 -42.42 97.95 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.75 -40.49 83.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.299 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HD3' ' HD1' ' A' ' 51' ' ' HIS . 21.4 mttm -60.39 -45.09 94.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.646 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -58.65 -43.82 89.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.067 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.09 -42.79 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.4 -50.22 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 109.443 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.5 mt -58.61 -47.46 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.617 179.035 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' GLU . 22.9 t -56.46 -44.51 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.202 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.01 -31.95 79.41 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.952 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.538 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 62.8 mt -73.71 -26.97 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.284 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.606 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -90.14 -27.21 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.213 178.483 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' SER . 45.3 tp10 -74.72 -46.28 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.765 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.33 162.44 22.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.959 0.409 . . . . 0.0 111.249 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.36 -17.89 23.57 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.897 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.783 HE22 ' ND2' ' A' ' 75' ' ' ASN . 92.9 mt-30 -57.43 -18.67 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.932 -178.667 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 25' ' ' ILE . 4.0 pttt -52.8 -28.55 23.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.461 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -53.69 -33.08 54.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 111.546 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.18 -38.84 68.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.852 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 35' ' ' ALA . 1.7 p -57.85 -40.32 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.633 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.755 0.312 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 59.7 51.36 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.607 179.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.705 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 36.8 mt -39.47 -56.02 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -58.42 -51.6 69.15 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.6 -36.04 75.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.658 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -46.41 90.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.566 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.705 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 81.7 m-70 -57.9 -48.99 78.25 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.784 0.326 . . . . 0.0 110.616 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.24 -50.25 72.49 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -57.26 -54.17 49.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.214 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.47 -51.33 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.587 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 59.6 m-20 -56.46 -39.27 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.635 -179.211 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -67.04 -32.11 73.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 -179.677 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.479 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 24.5 m-70 -110.47 18.54 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.365 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.559 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.2 ptm180 -54.73 -34.37 62.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.25 179.496 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.65 -36.25 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.694 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.7 ptt? -55.6 -28.51 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.103 -179.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.9 p -60.99 -27.25 68.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.428 -179.506 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.01 -13.18 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.4 mmtt -86.49 17.3 3.9 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.694 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.11 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.208 179.201 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 51.39 14.43 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.313 -178.292 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 64' ' ' TRP . 55.2 p -89.95 -161.81 0.82 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.426 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HZ2' HD13 ' A' ' 71' ' ' LEU . 13.4 tttp -132.42 -65.14 0.74 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.616 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.9 -38.67 86.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.623 -178.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 77.0 m-20 -63.62 -44.68 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.995 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.5 mt -58.34 -40.41 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.778 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.489 HD13 ' HZ2' ' A' ' 67' ' ' LYS . 89.1 mt -56.94 -42.27 79.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.758 179.256 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.81 -43.1 98.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 110.149 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -63.21 -53.38 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 -179.551 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.15 -38.58 73.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.606 -179.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.783 ' ND2' HE22 ' A' ' 30' ' ' GLN . 74.1 m-20 -57.84 -46.17 85.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.217 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -64.45 -40.63 96.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.994 179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.607 ' O ' ' N ' ' A' ' 81' ' ' ASP . 99.3 mm-40 -72.64 -38.83 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.874 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.538 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 3.0 t-105 -53.94 -47.13 71.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.875 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -69.5 -34.59 74.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.992 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -84.97 -7.88 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.936 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 77' ' ' GLN . 88.3 m-20 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HD3' HH12 ' A' ' 58' ' ' ARG . 10.7 mttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.428 0.632 . . . . 0.0 111.894 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -80.1 144.11 33.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.239 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.435 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 75.3 p -84.27 158.54 21.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.438 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.25 -42.2 69.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.054 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -65.72 -42.54 90.95 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.949 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' H ' ' HG1' ' A' ' 10' ' ' THR . 67.3 mm-40 -66.79 -38.07 85.81 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.483 178.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.405 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 t-105 -62.75 -48.11 80.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.068 -179.737 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -57.93 -38.79 76.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.062 0.458 . . . . 0.0 110.207 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 53.7 mt-30 -63.07 -43.69 97.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.3 tp -62.96 -36.51 83.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.408 178.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.654 ' HZ3' ' CG ' ' A' ' 51' ' ' HIS . 25.9 mttt -58.94 -44.64 91.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.467 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -62.87 -42.47 99.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.92 -179.596 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.13 -41.08 82.87 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.439 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 74' ' ' LEU . 25.8 m-85 -65.38 -46.82 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.122 0.487 . . . . 0.0 109.791 178.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.434 HD11 ' NE2' ' A' ' 19' ' ' GLN . 97.7 mt -58.28 -39.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.7 m -59.01 -46.86 87.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.385 179.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.569 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . -65.84 -26.07 72.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.415 ' CG2' HG13 ' A' ' 34' ' ' VAL . 4.2 mm -72.56 -39.37 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.582 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.7 -24.99 23.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.77 -179.866 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -71.38 -37.4 71.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.587 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.697 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.4 p-10 -105.68 175.87 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -59.68 -26.47 65.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.911 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.697 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 35.2 mt-30 -49.96 -16.07 0.25 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.157 -179.625 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.711 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 1.3 pttm -56.38 -33.24 65.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.711 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 96.2 m-20 -68.8 -35.19 76.7 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.195 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 27.4 mt -63.65 -41.53 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.466 -179.764 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG2' HE21 ' A' ' 46' ' ' GLN . 4.1 p -70.91 -36.65 64.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.792 178.85 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' N ' HG11 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.997 179.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 45' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.483 0.182 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 50' ' ' LEU . 49.8 mt-30 63.9 42.34 6.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.754 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.628 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 17.7 mt -44.7 -51.49 9.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.461 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -61.02 -57.36 12.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.658 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -67.34 -42.16 84.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.719 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 46' ' ' GLN . 1.6 tt -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.654 ' CG ' ' HZ3' ' A' ' 18' ' ' LYS . 32.8 m170 -57.68 -50.32 73.57 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.13 -48.3 82.3 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.495 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.69 -53.4 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.342 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.488 HD13 ' CE2' ' A' ' 21' ' ' PHE . 16.7 tp -57.95 -51.63 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.135 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -56.82 -42.74 80.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.657 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -62.51 -32.09 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.452 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 75.3 m-70 -110.77 14.93 22.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.666 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.643 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.5 ptm180 -53.44 -35.32 60.35 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.805 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -29.92 65.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 6.8 ptt? -57.27 -29.1 63.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -178.796 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 27.0 p -62.73 -28.19 69.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.681 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -71.25 -13.02 61.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 64.7 mmtt -86.88 17.78 3.87 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.246 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -175.37 -42.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.08 -0.648 . . . . 0.0 112.197 178.879 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 tttm 61.15 6.47 1.31 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 90.6 p -86.83 161.8 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.745 179.487 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -93.69 -66.34 0.93 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -60.42 -45.29 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 22.7 t0 -60.05 -45.26 93.45 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.296 -178.288 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.641 ' CD1' ' O ' ' A' ' 66' ' ' SER . 59.7 mt -58.98 -41.25 82.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 88.9 mt -56.24 -40.95 74.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.361 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -62.58 -45.78 91.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.505 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 8.7 mmmm -63.22 -52.99 60.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.358 -179.277 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.509 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 8.4 mp -57.27 -41.19 79.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.164 -0.615 . . . . 0.0 110.303 -179.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.538 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 76.1 m-20 -55.46 -44.65 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.466 ' HG2' ' NZ ' ' A' ' 80' ' ' LYS . 68.8 tt0 -69.2 -38.8 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.052 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -70.56 -37.32 73.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -58.31 -43.88 88.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.868 179.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.509 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 2.7 m120 -65.14 -36.81 85.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.001 -179.697 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.466 ' NZ ' ' HG2' ' A' ' 76' ' ' GLU . 45.0 mttp -78.98 -73.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.19 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.7 t0 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.725 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.823 0.345 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -74.42 147.88 41.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.247 0.546 . . . . 0.0 111.667 -179.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.0 p -83.12 161.2 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -54.24 -38.41 65.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.58 -49.59 65.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.753 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.704 0.764 . . . . 0.0 109.418 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 6.8 t-105 -63.12 -49.72 73.29 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.138 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -55.06 -38.69 68.34 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.462 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -64.29 -43.79 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.286 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 57.6 tp -59.79 -38.68 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.404 179.105 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.494 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 27.6 mttt -60.78 -47.78 84.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.951 -179.082 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -60.51 -40.06 90.07 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.218 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -61.75 -44.89 96.03 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.453 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.5 m-30 -62.42 -45.32 93.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.66 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.74 -50.14 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.219 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -56.93 -38.28 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.819 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.66 -32.6 83.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 6.6 mm -67.56 -33.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.781 -0.21 . . . . 0.0 110.586 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -88.09 -20.99 24.95 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.168 179.424 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -72.23 -34.26 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -95.9 146.44 24.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.365 0.603 . . . . 0.0 111.614 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -59.24 -26.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -52.75 -17.47 1.36 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.4 pttp -49.7 -22.32 1.33 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.78 0.8 . . . . 0.0 109.697 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -54.75 -42.05 71.15 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.015 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.58 -52.94 62.33 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.12 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.493 HG21 HE21 ' A' ' 46' ' ' GLN . 4.6 p -60.88 -28.49 43.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.266 0.555 . . . . 0.0 110.204 -179.303 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.397 179.482 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 51.8 m-80 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 14.6 pt20 49.65 64.11 1.89 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.905 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 13.6 mt -52.31 -46.96 66.18 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.526 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 6.6 p-10 -59.17 -52.48 65.53 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.088 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HB2' ' OE1' ' A' ' 46' ' ' GLN . 35.8 mt -66.81 -38.26 86.13 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.296 179.677 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.5 OUTLIER -59.3 -46.67 87.92 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.048 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.1 m170 -59.86 -50.13 74.99 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.81 -48.57 81.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.43 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 63.0 t90 -57.59 -55.63 32.33 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.108 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.2 tp -56.28 -50.52 71.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -55.13 -45.54 75.57 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.508 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -61.91 -31.07 71.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 53' ' ' TRP . 62.6 m-70 -110.77 14.61 22.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.466 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.479 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 14.9 ptm180 -54.41 -34.42 61.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 111.011 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.85 -27.58 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.722 179.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.76 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 9.8 ptm -59.11 -29.08 67.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 10.1 p -60.77 -27.3 67.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.288 -179.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -75.52 -12.76 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.061 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.5 mttp -86.96 20.84 2.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.76 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.0 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 178.153 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 tttm 62.32 49.47 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.946 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.635 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 27.7 p -147.31 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.198 -178.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 46.1 tttm -99.55 -61.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.802 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -59.23 -41.59 89.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.32 -47.93 80.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.455 -179.331 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.635 ' CD1' ' O ' ' A' ' 66' ' ' SER . 42.3 mt -60.65 -40.78 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.296 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 56.1 mt -58.8 -42.32 88.84 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.169 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.37 -44.7 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.731 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' A' ' 73' ' ' LYS . 1.7 mmmm -60.6 -50.14 74.73 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 74' ' ' LEU . 10.1 mp -54.88 -43.61 73.34 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.086 -179.367 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -57.95 -46.56 84.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.212 -179.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.83 -39.49 90.88 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.733 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -71.78 -41.54 68.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.41 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 1.5 t90 -54.1 -42.94 69.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.499 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -71.2 -43.2 67.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.408 0.623 . . . . 0.0 109.883 179.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -62.45 -34.42 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.405 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.832 -178.976 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.8 mttm . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.437 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 73.8 m-85 -77.79 144.88 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.86 179.524 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.6 p -81.7 159.7 23.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 92.9 m-20 -53.84 -40.81 66.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.316 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.604 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 75.0 m-20 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.929 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.645 0.735 . . . . 0.0 109.641 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.458 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.2 t-105 -63.29 -46.14 88.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.782 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.592 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 57.4 m-20 -54.41 -39.92 67.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.952 0.406 . . . . 0.0 110.431 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.604 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.6 mp0 -64.33 -42.5 96.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.427 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 33.2 tp -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.9 178.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.663 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 25.9 mttt -60.36 -46.95 88.13 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.873 179.749 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.592 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -59.65 -40.22 86.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.121 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 54' ' ' LEU . 4.0 m-30 -62.61 -44.59 95.91 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.725 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.5 mt -57.12 -51.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.516 178.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -56.09 -35.27 66.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.37 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.65 -42.15 97.71 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.441 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 1.2 mp -75.24 -23.95 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -92.04 -26.39 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.229 -179.562 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -31.4 50.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.94 178.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 37.6 p30 -100.59 -177.13 3.4 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.416 0.627 . . . . 0.0 111.828 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.97 -25.65 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.413 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -51.5 -15.33 0.41 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -56.28 -39.82 73.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.989 0.423 . . . . 0.0 110.979 -179.711 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -59.49 -40.18 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.182 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.665 ' CD2' ' ND2' ' A' ' 79' ' ' ASN . 9.1 mp -59.69 -39.77 85.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.184 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -64.4 -42.55 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.413 179.058 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 -179.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 . . . . . 0 N--CA 1.461 0.089 0 CA-C-O 120.697 0.284 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' LEU . 7.6 mt-30 61.34 46.93 7.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.787 179.416 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 5.9 mt -36.51 -54.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.573 -179.033 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 49' ' ' LEU . 46.8 p-10 -61.25 -49.14 78.31 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -177.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.562 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 53.7 mt -70.1 -42.25 72.95 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.716 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -60.52 -45.06 95.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 -179.181 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.663 ' CG ' ' HZ2' ' A' ' 18' ' ' LYS . 17.2 m170 -58.15 -48.77 79.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.45 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.55 -45.9 92.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -56.39 -56.29 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 21' ' ' PHE . 13.5 tp -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.411 -178.807 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 65.9 m-20 -57.46 -43.26 83.84 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.538 ' C ' ' HD1' ' A' ' 57' ' ' HIS . 56.1 ttt180 -62.54 -30.31 71.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.747 -178.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.587 ' O ' ' SD ' ' A' ' 60' ' ' MET . 2.8 m-70 -111.65 19.78 17.75 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.674 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.5 ptm180 -56.23 -33.03 65.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.819 0.342 . . . . 0.0 111.303 178.871 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -53.89 -36.01 62.21 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.5 -178.795 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.587 ' SD ' ' O ' ' A' ' 57' ' ' HIS . 3.2 ptt? -58.19 -29.09 65.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.373 -178.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -64.89 -28.36 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.083 0.468 . . . . 0.0 110.892 -179.261 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -69.67 -22.47 63.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.85 -76.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.044 -179.41 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.733 ' O ' ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -82.17 31.97 0.39 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.535 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' TRP . 80.1 tttt -30.76 77.59 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.916 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 64' ' ' TRP . 2.9 p -162.37 113.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.139 179.089 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.8 tttm -47.02 -63.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.76 -39.91 86.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.008 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 61.5 m-20 -65.74 -44.74 85.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.976 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' CZ ' ' A' ' 21' ' ' PHE . 80.9 mt -58.11 -45.8 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.968 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 87.8 mt -55.8 -41.45 74.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.681 ' C ' ' HD1' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -64.25 -51.82 61.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.023 179.634 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 26.1 mmmt -58.2 -51.57 69.19 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.083 -179.416 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 70' ' ' ILE . 5.6 mp -57.79 -39.83 78.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.866 179.585 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.551 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 83.7 m-20 -57.52 -43.77 84.55 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.415 179.475 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -67.06 -38.54 85.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.31 -42.7 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.933 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.441 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 1.8 t90 -56.51 -40.25 74.69 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.758 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.665 ' ND2' ' CD2' ' A' ' 33' ' ' LEU . 6.7 m120 -64.54 -39.97 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.723 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 81' ' ' ASP . 18.7 mmtm -84.98 -3.82 58.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.853 179.461 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' A' ' 80' ' ' LYS . 47.2 t0 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.714 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.4 mttt . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -75.2 152.72 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.48 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 70.5 p -85.47 160.81 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.129 179.342 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.05 -39.53 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.15 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -65.4 -46.71 78.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.988 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.48 ' H ' ' HG1' ' A' ' 10' ' ' THR . 74.0 mm-40 -64.85 -38.99 92.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.033 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.625 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 7.3 t-105 -62.1 -47.07 86.24 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.451 179.679 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -54.6 -40.3 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.169 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.82 -43.63 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.095 179.368 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 21' ' ' PHE . 17.5 tp -65.51 -42.22 92.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.882 178.773 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.723 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 11.9 mtmt -61.9 -43.93 97.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.465 -179.822 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.23 -40.38 97.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.46 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -60.28 -43.88 95.85 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.11 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 17' ' ' LEU . 5.5 m-30 -60.89 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.7 mt -58.97 -46.8 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.424 178.192 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.9 m -56.5 -44.02 80.31 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.18 -31.74 81.85 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.558 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 18.5 mt -71.95 -43.49 68.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.26 -23.31 51.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.194 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -73.85 -38.62 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.089 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.558 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 57.3 p30 -90.42 161.54 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.142 0.496 . . . . 0.0 111.891 -178.835 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.643 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.5 tt0 -63.24 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.637 179.481 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -55.01 -4.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.643 ' H ' ' C ' ' A' ' 29' ' ' GLU . 23.6 pttm -61.14 -28.9 69.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.621 179.413 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -58.38 -36.51 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 33' ' ' LEU . 5.3 mp -62.06 -46.92 87.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.509 -179.244 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 31' ' ' LYS . 7.6 p -70.2 -32.33 50.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.178 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.261 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.4 m120 . . . . . 0 N--CA 1.462 0.169 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 45' ' ' ASN . 16.6 pt20 46.4 59.57 3.77 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.844 0.831 . . . . 0.0 110.453 -179.077 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.39 -50.31 65.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.931 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.54 -51.06 71.06 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.722 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.6 -45.18 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.668 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tt -59.21 -40.18 84.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.225 -178.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.723 ' CG ' ' HZ2' ' A' ' 18' ' ' LYS . 4.1 m-70 -60.58 -47.43 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.01 179.645 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -61.64 -46.72 88.56 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.12 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -58.3 -57.18 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.103 0.477 . . . . 0.0 110.39 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.4 tp -55.55 -48.96 73.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.209 -179.056 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.625 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 98.5 m-20 -57.84 -44.78 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.811 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -60.06 -29.11 68.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 110.591 -179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' O ' ' HG2' ' A' ' 60' ' ' MET . 82.5 m-70 -113.75 20.25 16.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.423 -179.543 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -54.11 -35.48 62.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -58.13 -31.91 67.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.701 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.0 ptt? -59.33 -29.28 67.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -63.67 -28.81 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.043 0.449 . . . . 0.0 110.365 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -74.08 -12.39 60.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.997 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.12 -56.3 4.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.672 ' C ' ' H ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -86.19 -30.94 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.537 -179.354 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp 62.97 -11.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.137 -179.181 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.672 ' H ' ' C ' ' A' ' 64' ' ' TRP . 5.1 p -96.2 131.0 43.13 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.212 0.53 . . . . 0.0 111.614 -179.467 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -65.98 -53.72 35.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -60.87 -38.12 84.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.581 -0.448 . . . . 0.0 112.046 -177.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.27 -44.39 95.25 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.432 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 64' ' ' TRP . 69.2 mt -58.3 -45.77 89.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.176 -179.642 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.0 mt -55.78 -39.61 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.08 -46.54 89.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.9 mmmt -60.13 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.909 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 HD11 ' N ' ' A' ' 74' ' ' LEU . 9.0 mp -57.8 -45.5 85.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.203 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -53.84 -45.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.69 -179.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -71.08 -40.32 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.005 -179.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 80' ' ' LYS . 92.8 mt-30 -70.71 -36.31 73.18 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.577 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 5.4 t-105 -51.1 -31.64 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.753 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.11 -10.58 60.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.062 0.458 . . . . 0.0 109.948 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -84.49 -12.07 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.854 179.413 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.577 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 42.0 p30 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.412 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.907 0.384 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -75.99 144.83 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.617 -179.303 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 14' ' ' TRP . 44.2 p -79.56 162.58 25.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.418 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 98.1 m-20 -57.17 -40.53 77.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.371 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.59 -46.6 85.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.91 -40.08 87.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.682 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.434 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 9.2 t-105 -62.79 -49.0 76.7 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.221 179.537 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.567 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.8 m120 -56.18 -39.56 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.463 179.297 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -62.38 -43.9 97.72 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.54 -38.04 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.592 179.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' NZ ' ' CG ' ' A' ' 51' ' ' HIS . 30.4 mttt -58.5 -44.2 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.854 179.58 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.567 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -57.48 -43.89 84.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.849 -179.865 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.61 -44.92 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 25' ' ' ILE . 5.4 m-30 -62.89 -47.67 82.31 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.317 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.694 ' CG2' ' ND2' ' A' ' 45' ' ' ASN . 59.8 mt -58.22 -51.14 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.607 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 28.9 t -55.98 -41.9 75.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.83 -40.28 94.92 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.83 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 21' ' ' PHE . 16.7 mm -72.11 -39.98 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.625 -179.691 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.637 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -74.43 -29.15 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.354 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' SER . 91.5 mt-10 -73.5 -34.67 65.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 179.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -89.31 146.7 24.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -55.75 -24.88 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.144 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -48.88 -17.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.732 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -51.78 -25.31 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.403 -178.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -54.39 -30.59 52.64 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.274 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.614 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.896 179.487 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 t -63.41 -42.16 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.171 0.51 . . . . 0.0 109.808 179.292 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.049 -179.305 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.694 ' ND2' ' CG2' ' A' ' 22' ' ' ILE . 78.6 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.609 0.242 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 14.7 mt-30 63.36 41.81 7.35 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.102 179.096 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -38.3 -58.64 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.66 -51.75 68.26 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.877 -177.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.7 mm? -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.372 179.501 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 2.5 tt -58.09 -44.91 87.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 -178.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CG ' ' NZ ' ' A' ' 18' ' ' LYS . 30.9 m170 -61.58 -46.18 90.95 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.098 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -61.01 -50.54 72.95 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -56.08 -55.33 34.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.562 0.696 . . . . 0.0 109.598 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.417 HD21 ' NE1' ' A' ' 14' ' ' TRP . 19.6 tp -56.4 -53.67 54.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.113 -179.817 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -54.52 -39.67 67.85 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.449 HH11 ' CE1' ' A' ' 57' ' ' HIS . 74.9 ttt-85 -65.9 -32.34 73.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.341 -179.506 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.1 m-70 -110.17 13.88 23.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.758 -179.211 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.515 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.9 ptm180 -50.26 -33.82 21.07 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -58.1 -28.74 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.862 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.92 -29.41 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.281 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.1 p -63.18 -29.95 71.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HG2' ' SG ' ' A' ' 61' ' ' CYS . 73.4 mm-40 -76.54 -12.53 60.04 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.352 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 76.2 mttt -83.98 20.38 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.49 -43.58 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.94 178.501 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 13.0 tttp 72.86 -15.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.424 179.72 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.549 ' HG ' ' HB2' ' A' ' 69' ' ' ASP . 5.1 p -89.14 126.79 35.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.447 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -59.18 -50.38 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 43.2 mm-40 -58.96 -40.62 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -176.692 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.549 ' HB2' ' HG ' ' A' ' 66' ' ' SER . 72.4 m-20 -65.89 -45.1 83.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.303 0.573 . . . . 0.0 110.239 179.641 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.495 HG12 ' CD1' ' A' ' 64' ' ' TRP . 79.1 mt -57.19 -47.69 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.722 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.28 -41.01 87.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.705 -179.4 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 68' ' ' GLU . 81.9 m-70 -57.85 -42.02 83.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.017 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.494 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 4.4 mptp? -64.94 -49.64 69.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.316 179.006 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 74' ' ' LEU . 7.0 mp -58.15 -39.89 79.94 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.298 -179.859 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.87 -49.29 75.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -38.65 90.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.037 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 98.4 mm-40 -68.77 -40.52 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.111 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.82 -42.9 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 0.0 109.913 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.66 -42.51 97.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.553 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -87.34 -1.03 57.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.705 179.853 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 80' ' ' LYS . 60.9 t0 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.461 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.909 0.385 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -77.34 145.83 37.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.811 179.372 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p -82.45 162.63 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.978 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -55.51 -42.99 75.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.029 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.716 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 89.2 m-20 -62.05 -46.78 87.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.315 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.87 -41.81 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.538 0.685 . . . . 0.0 109.482 179.036 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.521 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 4.2 t-105 -62.73 -47.23 84.47 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.709 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -54.43 -39.48 67.41 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.869 -0.333 . . . . 0.0 111.321 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.716 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -65.59 -41.98 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.521 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 19.2 tp -60.69 -35.36 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.942 179.005 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 29.3 mttt -61.68 -48.19 81.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.331 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.85 -39.06 87.72 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.748 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.2 -43.65 92.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.977 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.508 ' CE2' HD22 ' A' ' 74' ' ' LEU . 5.9 m-30 -68.32 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.165 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.85 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.607 178.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -56.12 -45.99 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.668 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.08 -33.34 74.11 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.512 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 18.9 mm -71.86 -37.9 63.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 O-C-N 122.624 -0.339 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.36 -33.08 37.55 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.154 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 76.9 mm-40 -72.46 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.561 179.172 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.2 p30 -95.02 167.03 11.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.33 0.586 . . . . 0.0 111.477 -179.57 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.1 tt0 -56.07 -30.3 61.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.289 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' OE1' ' HB3' ' A' ' 75' ' ' ASN . 10.4 mt-30 -50.69 -6.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.147 -178.394 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 29' ' ' GLU . 11.4 ttmm -57.01 -42.84 81.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -63.02 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.96 -42.98 99.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.293 0.568 . . . . 0.0 110.403 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.45 HG21 ' CZ2' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -67.35 -38.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.337 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.325 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 11.8 m120 . . . . . 0 CA--C 1.518 -0.282 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 4.8 pt20 47.57 41.06 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.32 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.5 mt -56.19 -43.36 78.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.43 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.03 -45.89 86.2 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.417 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 ' HB2' HE21 ' A' ' 46' ' ' GLN . 30.8 mt -65.62 -38.63 89.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.477 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.15 -44.81 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.215 -179.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.514 ' ND1' ' HD3' ' A' ' 18' ' ' LYS . 25.5 m-70 -57.5 -47.72 81.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.229 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -62.95 -47.97 80.9 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -56.15 -51.92 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.428 0.633 . . . . 0.0 109.329 179.352 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 21' ' ' PHE . 17.3 tp -58.99 -53.15 61.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.078 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -54.97 -41.1 70.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 58.9 ttp180 -65.2 -32.09 73.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' CE1' ' HE ' ' A' ' 56' ' ' ARG . 3.2 m-70 -109.04 16.72 22.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.294 -179.316 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.666 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.4 ptm180 -53.6 -33.77 56.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.843 0.354 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.56 -31.74 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.491 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.69 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.9 ptt? -57.74 -27.79 63.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -179.044 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 21.5 p -60.91 -28.74 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.978 0.418 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -75.03 -15.42 60.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.996 -179.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -85.11 17.15 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.69 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -28.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.775 178.44 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 mttm 52.29 14.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.328 0.585 . . . . 0.0 109.549 -179.256 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 82.6 p -92.44 157.82 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.241 179.051 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' HD23 ' A' ' 71' ' ' LEU . 23.8 tttt -99.42 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 0.0 111.259 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.02 -38.79 80.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.79 -178.319 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 74.9 m-20 -62.71 -42.12 99.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.25 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 66' ' ' SER . 73.1 mt -59.96 -42.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.761 179.282 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.551 HD23 ' N ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -53.14 -42.15 65.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.634 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -58.87 -42.42 89.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.803 178.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.8 mmmt -63.26 -52.84 60.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.508 HD22 ' CE2' ' A' ' 21' ' ' PHE . 7.8 mp -57.55 -38.97 75.62 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.178 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.411 ' HB3' ' OE1' ' A' ' 30' ' ' GLN . 95.0 m-20 -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.479 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.17 -38.75 88.83 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.628 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.06 -40.41 75.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.888 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.45 ' CZ2' HG21 ' A' ' 34' ' ' VAL . 2.2 t-105 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -63.96 -46.17 85.89 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -58.95 -31.96 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.28 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.49 179.684 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -72.98 155.24 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.339 -179.61 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.6 p -84.25 159.79 20.9 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.101 -179.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -54.29 -41.46 68.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.174 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.534 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 55.6 m-20 -64.93 -47.16 78.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.583 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.1 -40.28 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.497 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.1 t-105 -60.17 -43.23 96.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.621 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 8.3 m120 -54.95 -40.28 69.81 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.578 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -62.37 -44.78 95.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.773 179.701 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.1 tp -60.65 -39.37 88.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.674 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 23.8 mttm -60.75 -47.94 84.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.621 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -59.74 -40.5 88.31 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.609 -179.488 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.26 -47.0 88.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.371 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.47 ' CZ ' HG23 ' A' ' 70' ' ' ILE . 4.6 m-30 -62.75 -47.28 84.23 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.402 . . . . 0.0 110.315 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.48 -47.99 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.1 m -56.74 -41.4 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.69 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.0 65.47 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.634 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 31.8 mm -67.27 -35.82 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 117.435 0.618 . . . . 0.0 110.043 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -83.02 -20.72 34.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.907 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -71.82 -36.19 70.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.636 179.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.634 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.1 p-10 -93.94 153.75 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.758 179.23 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.67 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.556 -178.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -49.56 -21.32 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.974 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -52.85 -22.27 5.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.636 -179.167 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.487 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 49.2 t0 -59.72 -36.27 76.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.822 179.245 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.39 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.05 179.039 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -63.85 -44.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.345 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.483 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.134 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.624 ' O ' ' OE1' ' A' ' 46' ' ' GLN . 6.8 m120 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.624 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 55.99 47.28 20.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.79 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 46' ' ' GLN . 3.4 mt -31.9 -53.89 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -178.61 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -59.25 -52.88 63.75 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.31 -41.54 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 5.4 tt -57.47 -43.23 83.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.035 -178.605 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.674 ' CG ' ' HZ2' ' A' ' 18' ' ' LYS . 19.2 m170 -59.04 -47.82 83.84 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.403 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -58.62 -46.96 85.94 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.197 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.405 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 52.3 t90 -57.94 -52.5 65.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.09 -50.76 68.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.718 -179.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -56.61 -43.27 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.85 -32.35 70.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' MET . 71.0 m-70 -118.21 23.84 11.34 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.673 -179.327 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.1 ptm180 -54.5 -34.95 62.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.119 0.485 . . . . 0.0 111.043 179.354 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.82 -32.3 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.171 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.5 ptt? -57.73 -27.77 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.664 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.3 p -60.29 -28.31 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.969 -178.829 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.27 -12.17 60.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -178.606 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.543 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 20.5 mtpp -86.66 21.71 2.11 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.23 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.67 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.66 178.679 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 16.4 tttp 67.15 -28.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.58 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.705 ' H ' ' C ' ' A' ' 64' ' ' TRP . 18.1 p -83.09 130.98 35.17 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.661 179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -67.28 -38.76 85.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.276 -179.143 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -59.61 -39.78 85.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.923 -178.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.567 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 42.7 t0 -64.18 -50.08 69.55 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.818 178.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.5 HG12 ' NE1' ' A' ' 64' ' ' TRP . 90.4 mt -57.88 -42.63 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.149 -179.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.539 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 42.0 mt -56.87 -42.81 80.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.48 ' HD1' ' HD2' ' A' ' 73' ' ' LYS . 55.4 t-80 -63.94 -50.4 68.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.057 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.567 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -59.0 -50.14 75.23 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.698 179.431 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 HD11 ' N ' ' A' ' 74' ' ' LEU . 5.7 mp -59.18 -38.12 79.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.408 179.645 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.539 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 69.6 m-20 -55.36 -46.67 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.543 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.5 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 86.4 mt-10 -68.53 -39.96 80.96 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' ASP . 81.5 mt-30 -68.54 -40.8 80.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.73 179.248 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.23 -43.01 70.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.958 179.54 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -68.89 -35.98 77.52 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 76' ' ' GLU . 28.3 mtmm -84.85 -6.18 59.34 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.144 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' GLN . 65.1 t0 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.859 -1.067 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.951 0.405 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -77.43 140.6 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.0 p -85.04 167.23 16.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -53.64 -41.01 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.077 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.59 -45.95 77.57 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.012 0.434 . . . . 0.0 110.046 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.05 -40.34 94.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 0.0 109.62 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.459 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.3 t-105 -64.2 -47.07 81.17 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.281 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -54.42 -39.49 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.331 0.586 . . . . 0.0 110.125 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -64.32 -42.59 96.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 17.9 tp -60.71 -39.56 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.868 179.395 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.508 ' HZ1' ' CG ' ' A' ' 51' ' ' HIS . 29.4 mttt -59.53 -45.14 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.08 179.751 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -59.2 -42.61 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.697 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.74 -43.51 98.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.227 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CD2' ' CD2' ' A' ' 74' ' ' LEU . 3.3 m-30 -63.18 -46.87 85.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.112 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.495 HG21 HD21 ' A' ' 45' ' ' ASN . 97.2 mt -58.76 -48.3 86.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.497 178.346 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.8 t -56.41 -43.69 79.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.29 92.93 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.443 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 19.4 mm -71.08 -39.41 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.566 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.67 -24.69 38.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.983 179.493 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 27' ' ' GLU . 8.2 tm-20 -71.42 -38.65 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.345 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 30' ' ' GLN . 48.2 p30 -88.9 159.84 17.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.153 0.501 . . . . 0.0 111.377 -179.519 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' A' ' 31' ' ' LYS . 86.5 tt0 -62.36 -30.23 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.542 179.439 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.472 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 87.9 mt-30 -55.81 -3.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.177 -179.671 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 29' ' ' GLU . 58.4 pttt -56.94 -29.56 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.978 0.418 . . . . 0.0 109.984 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -57.58 -38.75 75.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' CD1' HD22 ' A' ' 79' ' ' ASN . 66.8 mt -56.59 -46.5 80.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.744 -178.766 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.464 HG23 HE21 ' A' ' 46' ' ' GLN . 3.9 p -73.71 -37.23 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.071 -179.426 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.495 HD21 HG21 ' A' ' 22' ' ' ILE . 94.0 m-20 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 50' ' ' LEU . 52.8 mt-30 67.14 39.54 3.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.129 179.431 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 46' ' ' GLN . 9.4 mt -37.93 -55.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.41 -57.4 12.92 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.197 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 10.5 mp -67.33 -40.42 85.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.433 -179.831 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 46' ' ' GLN . 1.1 tt -58.32 -43.05 88.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.671 -179.551 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.508 ' CG ' ' HZ1' ' A' ' 18' ' ' LYS . 30.2 m170 -58.23 -49.75 75.97 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.312 -179.878 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.33 -47.85 84.0 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.446 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -55.79 -56.42 20.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.909 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.4 ' CD2' ' HG2' ' A' ' 18' ' ' LYS . 25.3 tp -55.95 -50.87 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.467 -179.306 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.092 -178.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -62.54 -32.79 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.248 0.547 . . . . 0.0 110.68 -179.613 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -111.03 18.09 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.972 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.52 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.8 ptm180 -52.08 -32.38 34.59 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.034 0.445 . . . . 0.0 110.347 179.302 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' A' ' 60' ' ' MET . 39.4 p30 -54.44 -26.36 30.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.241 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.743 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 11.4 ptp -54.36 -37.46 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.279 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.5 p -66.47 -29.07 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.588 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.19 -24.35 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.952 179.438 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -80.19 -53.44 6.67 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.575 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -95.56 -25.86 16.01 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.835 -179.77 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 18.0 tttp 55.56 -2.51 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.183 0.516 . . . . 0.0 110.072 -179.29 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.664 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.4 p -82.16 166.17 19.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.161 0.505 . . . . 0.0 111.918 -179.264 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -104.47 -72.25 0.71 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.856 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.81 -37.97 86.4 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.544 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 98.0 m-20 -62.0 -43.53 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.727 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.627 ' CD1' ' O ' ' A' ' 66' ' ' SER . 27.2 mt -60.44 -43.25 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.32 -40.9 71.71 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.791 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -59.72 -43.02 94.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.413 0.625 . . . . 0.0 109.768 179.549 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -61.18 -51.49 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.59 179.749 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD12 ' SD ' ' A' ' 60' ' ' MET . 7.9 mp -55.75 -38.72 70.2 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.77 -46.36 74.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.404 -0.518 . . . . 0.0 109.911 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.82 -40.16 83.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.3 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 81' ' ' ASP . 84.6 mm-40 -70.16 -40.68 74.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 0.0 110.123 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.548 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 1.7 t-105 -55.92 -42.68 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.744 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.503 HD22 ' CD1' ' A' ' 33' ' ' LEU . 2.2 m120 -71.45 -34.41 70.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.483 179.443 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 4.9 ttmm -84.36 -12.52 54.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.548 ' OXT' ' O ' ' A' ' 78' ' ' TRP . 9.5 m-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.446 -179.843 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.875 0.369 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -75.99 144.71 40.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -82.0 160.17 23.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.793 -179.19 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -54.18 -43.34 70.59 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.011 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.483 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 86.0 m-20 -67.24 -44.81 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.782 179.68 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.692 . . . . 0.0 109.303 179.198 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.448 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 6.7 t-105 -62.23 -46.43 88.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.189 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -54.98 -40.7 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 8.1 mp0 -63.17 -44.06 96.53 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.499 ' CD1' ' CE1' ' A' ' 21' ' ' PHE . 55.5 tp -58.78 -39.29 80.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.001 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HZ3' ' CG ' ' A' ' 51' ' ' HIS . 29.5 mttt -59.17 -45.54 90.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.279 179.618 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -59.83 -42.35 93.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.497 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -60.75 -43.06 98.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.8 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.556 ' CE2' ' CD2' ' A' ' 74' ' ' LEU . 6.4 m-30 -66.53 -43.91 83.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.308 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 96.5 mt -57.71 -50.34 77.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.17 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -57.89 -42.72 85.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.49 -34.48 89.55 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.81 -42.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.039 -179.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.578 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -75.9 -28.15 57.97 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.368 0.604 . . . . 0.0 109.583 178.877 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 22.9 tp10 -74.09 -25.25 59.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.097 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -97.84 160.44 14.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 0.0 111.548 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 31' ' ' LYS . 53.5 tt0 -60.15 -30.65 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.356 179.247 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -55.49 -8.99 0.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.257 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 10.7 pttm -55.5 -39.89 71.05 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.379 0.609 . . . . 0.0 109.599 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 87.9 m-20 -58.3 -44.35 88.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.222 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.69 -48.05 78.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.642 -179.258 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 2.7 p -65.55 -34.21 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.035 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.353 -179.715 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.556 ' N ' HD21 ' A' ' 45' ' ' ASN . 1.5 m120 . . . . . 0 C--O 1.226 -0.164 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.646 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 62.05 41.72 10.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.272 -179.735 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mt -38.19 -58.52 0.97 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.881 -179.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -56.67 -51.21 69.64 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.218 -177.871 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' H ' HD12 ' A' ' 49' ' ' LEU . 10.0 mp -68.99 -33.49 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.493 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -57.86 -46.34 84.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.858 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.583 ' CG ' ' HZ3' ' A' ' 18' ' ' LYS . 13.6 m170 -59.12 -45.03 91.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.96 -53.24 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.919 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -60.44 -51.58 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.004 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.14 -52.74 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.743 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -55.51 -41.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.439 -179.388 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -61.41 -32.93 72.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.339 -179.627 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.8 m-70 -113.27 19.58 16.93 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.578 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.556 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.3 ptm180 -53.08 -34.43 56.55 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.379 0.609 . . . . 0.0 110.41 179.007 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -55.91 -34.56 65.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.266 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.775 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptt? -55.58 -28.25 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.393 -178.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.0 p -61.81 -28.99 69.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.697 0.284 . . . . 0.0 111.764 -178.627 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.38 -12.48 60.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.067 -179.27 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 45.7 mtpt -86.7 16.24 4.93 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.775 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.42 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.018 0.437 . . . . 0.0 110.064 178.001 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mttm 51.69 2.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.329 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.643 ' H ' ' C ' ' A' ' 64' ' ' TRP . 13.1 p -88.59 163.6 15.77 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.702 178.584 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -96.1 -63.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -178.064 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.06 -35.17 79.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.792 -177.793 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -65.69 -45.68 81.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.989 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 66' ' ' SER . 55.5 mt -60.69 -39.77 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.491 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 78.4 mt -57.8 -39.67 78.1 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.646 179.495 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.24 -46.49 90.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.432 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.9 mmtt -61.55 -53.62 53.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.556 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -57.79 -36.99 72.93 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.366 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 71' ' ' LEU . 2.1 m120 -58.92 -43.42 91.12 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.778 179.742 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -63.72 -39.78 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.611 ' O ' ' N ' ' A' ' 81' ' ' ASP . 73.8 mt-30 -73.89 -36.17 64.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.29 0.567 . . . . 0.0 110.304 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.52 ' CZ2' ' OE1' ' A' ' 46' ' ' GLN . 3.9 t-105 -54.38 -45.65 72.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.692 179.823 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -74.75 -34.4 62.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.411 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -91.22 -73.25 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 77' ' ' GLN . 28.5 t70 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.865 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttm . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.034 0.445 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -75.72 155.61 35.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.401 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 70.7 p -86.19 158.53 19.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.536 -179.623 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -52.86 -38.64 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.774 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.9 m-20 -65.5 -49.7 68.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.326 0.584 . . . . 0.0 110.491 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 98.5 mt-10 -65.14 -35.39 80.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.034 179.006 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.462 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 6.8 t-105 -63.56 -45.66 89.49 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -56.35 -38.44 71.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.48 0.657 . . . . 0.0 109.812 179.36 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.731 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.86 -42.07 99.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.07 -38.13 85.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.813 178.829 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 31.0 mttt -61.3 -44.95 96.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 179.596 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.71 -41.87 91.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.038 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -63.14 -41.35 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.165 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -66.96 -44.17 81.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 18' ' ' LYS . 93.3 mt -57.65 -51.89 64.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLU . 50.1 m -53.79 -34.76 60.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.071 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.4 -35.69 82.56 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.3 mm -73.31 -32.68 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.21 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.576 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.39 -28.1 25.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.76 179.793 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' SER . 48.3 tp10 -75.16 -33.39 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.692 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -97.42 164.85 12.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.249 179.355 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -61.06 -19.99 62.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.297 179.575 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -47.99 -16.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.268 -178.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 9.9 pttm -58.88 -33.53 70.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.634 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 94.8 m-20 -64.72 -41.0 96.3 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.103 179.196 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.0 mt -60.39 -36.44 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.501 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.34 -49.51 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.018 -179.88 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.014 -179.693 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 CA--C 1.518 -0.268 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' LEU . 19.0 mt-30 60.53 45.02 11.11 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.333 178.874 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 1.8 mt -43.19 -53.84 4.83 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.93 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.76 -54.78 42.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.27 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.494 HD11 ' H ' ' A' ' 49' ' ' LEU . 4.7 mp -68.28 -40.69 81.75 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.787 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 4.4 tt -59.64 -44.79 93.37 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 18.7 m170 -58.19 -50.68 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.628 -179.444 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -61.36 -45.37 94.68 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.955 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CZ3' ' HG ' ' A' ' 74' ' ' LEU . 51.2 t90 -56.77 -55.26 36.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.592 0.711 . . . . 0.0 109.73 179.36 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.47 -49.56 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.525 -179.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -56.3 -42.04 76.92 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.98 -179.815 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.472 HH21 ' HE2' ' A' ' 57' ' ' HIS . 23.7 ttp-105 -62.12 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.024 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.515 ' O ' ' SD ' ' A' ' 60' ' ' MET . 34.1 m-70 -114.89 19.18 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.996 -178.482 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 15.1 ptm180 -53.46 -34.43 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 111.493 179.839 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.43 -32.04 64.49 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.587 -179.077 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 8.6 ptt? -57.84 -29.99 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 p -60.19 -30.0 69.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -178.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -75.67 -13.91 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.074 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.1 -59.68 2.26 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.716 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -79.71 -37.74 34.96 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.647 -179.381 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.7 tttm 60.39 -16.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.659 ' H ' ' C ' ' A' ' 64' ' ' TRP . 11.1 p -92.66 129.97 38.43 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.224 179.355 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.783 -178.55 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.34 -38.95 91.49 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.552 ' CG ' ' HG ' ' A' ' 66' ' ' SER . 84.2 m-20 -64.33 -44.6 91.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.298 -179.088 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.482 HG12 ' CD1' ' A' ' 64' ' ' TRP . 56.4 mt -60.0 -44.97 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.627 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 75.5 mt -55.18 -40.22 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.4 -179.767 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.82 -44.55 93.96 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.724 179.148 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.579 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 3.1 mptp? -65.55 -49.44 68.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.7 mp -58.81 -36.19 74.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.783 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.473 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 68.2 m-20 -56.57 -47.86 78.62 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.328 179.004 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -70.35 -41.2 73.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.368 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.579 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 3.7 mp0 -70.11 -44.29 69.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.992 -179.45 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -54.97 -42.4 72.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.351 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -68.82 -37.16 79.01 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.017 0.437 . . . . 0.0 110.23 179.17 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -81.88 -7.27 59.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.321 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' GLN . 20.8 t70 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.393 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.8 mttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.598 0.237 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -77.11 149.08 35.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.909 0.385 . . . . 0.0 110.948 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.8 p -83.1 160.86 21.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.659 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -52.95 -43.16 66.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -178.724 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.74 -42.94 81.03 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.814 -179.733 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.6 -40.3 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.412 0.625 . . . . 0.0 109.578 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.473 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 5.1 t-105 -63.15 -46.49 86.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.511 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 2.0 m120 -56.31 -38.43 71.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 179.505 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -63.64 -43.72 95.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.433 HD21 ' CZ3' ' A' ' 14' ' ' TRP . 57.0 tp -62.0 -38.51 88.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.912 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.738 ' HZ3' ' CG ' ' A' ' 51' ' ' HIS . 26.5 mttt -59.91 -45.36 92.79 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.622 179.787 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.518 ' N ' ' CD ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -60.66 -41.99 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.661 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.46 -43.82 96.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' A' ' 54' ' ' LEU . 4.8 m-30 -64.46 -46.89 81.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.931 179.325 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 ' NE2' ' A' ' 19' ' ' GLN . 61.8 mt -57.77 -46.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.29 178.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -55.75 -44.95 78.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.294 179.554 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.99 86.01 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.461 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 5.3 mm -72.58 -35.01 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.433 -179.41 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.571 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.27 -25.49 23.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.103 0.478 . . . . 0.0 111.15 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -72.85 -37.34 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.486 179.135 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.496 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 48.4 p30 -84.79 157.54 20.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.541 . . . . 0.0 111.618 -179.413 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.92 -23.76 67.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.679 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.413 HE22 ' HB3' ' A' ' 75' ' ' ASN . 24.4 mt-30 -61.01 -11.88 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.377 -178.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.506 ' HD3' ' H ' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -52.21 -23.96 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.808 -179.319 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.506 ' H ' ' HD3' ' A' ' 31' ' ' LYS . 51.2 t0 -57.45 -38.8 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.401 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.16 -39.37 86.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.376 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 35' ' ' ALA . 3.8 p -66.45 -33.95 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.987 -179.694 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.576 ' N ' HG13 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.086 0.469 . . . . 0.0 109.844 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.612 ' O ' ' OE1' ' A' ' 46' ' ' GLN . 4.4 m-80 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.612 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 56.96 55.11 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 179.324 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 68.6 mt -42.25 -50.95 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.383 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -59.4 -57.59 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.163 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.99 -40.99 95.77 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.367 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 5.4 tt -58.69 -43.69 90.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 -178.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CG ' ' HZ3' ' A' ' 18' ' ' LYS . 26.1 m170 -60.63 -47.61 85.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.316 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -58.77 -48.15 82.22 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.783 179.784 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -56.94 -57.46 12.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' ARG . 10.3 tp -57.64 -51.8 68.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.14 -178.606 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.28 -43.58 71.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -178.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.817 HH21 ' HE2' ' A' ' 57' ' ' HIS . 36.8 ttp180 -64.74 -31.44 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 179.439 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.817 ' HE2' HH21 ' A' ' 56' ' ' ARG . 84.4 m-70 -107.55 15.53 24.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.324 -179.604 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.684 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -55.4 -34.13 64.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 110.914 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.03 -32.67 66.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.397 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptm -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.33 -179.482 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.3 p -62.35 -27.43 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.757 -178.179 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -71.88 -12.88 61.48 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.472 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.63 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.2 mmtt -84.88 19.15 2.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.766 0.317 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -166.84 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 111.117 178.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 tttm 59.78 -1.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.516 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.641 ' H ' ' C ' ' A' ' 64' ' ' TRP . 70.6 p -85.88 -149.02 0.13 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.24 178.549 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -139.79 -61.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.358 -0.537 . . . . 0.0 112.152 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.8 -36.11 78.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.922 -178.033 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 67.4 m-20 -63.02 -49.47 74.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 -179.363 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.553 HG12 ' CD1' ' A' ' 64' ' ' TRP . 30.0 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.555 -179.322 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.2 mt -53.83 -41.26 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.807 179.344 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -58.93 -44.74 91.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.182 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.507 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -64.9 -51.41 62.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.747 -179.514 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD21 ' CE2' ' A' ' 21' ' ' PHE . 7.6 mp -59.21 -36.44 75.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' HB3' HE22 ' A' ' 30' ' ' GLN . 88.1 m-20 -56.54 -50.57 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.294 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.515 ' CG ' ' HZ3' ' A' ' 80' ' ' LYS . 35.0 tp10 -64.36 -38.55 91.42 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.919 179.646 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.602 ' O ' ' N ' ' A' ' 81' ' ' ASP . 9.0 tp-100 -70.42 -41.85 72.4 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.391 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -54.62 -39.62 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -68.27 -40.54 81.82 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.402 178.8 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.515 ' HZ3' ' CG ' ' A' ' 76' ' ' GLU . 10.5 mtmt -89.39 -1.05 57.92 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 77' ' ' GLN . 18.1 t70 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.408 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 9.1 mtpm? . . . . . 0 C--O 1.232 0.169 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -77.71 140.2 39.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 112.036 -178.61 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 p -86.91 162.64 17.6 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.451 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.16 -41.76 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.477 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 75.9 m-20 -63.01 -44.73 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.276 179.62 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -67.0 -38.58 86.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.406 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.478 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -60.91 -47.51 86.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.69 179.529 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -54.66 -40.36 68.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.522 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.671 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -65.2 -44.55 88.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.732 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 tp -60.03 -41.17 91.64 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.8 mttt -57.44 -46.49 83.52 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.458 179.535 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -58.74 -41.14 85.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.67 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.72 -45.71 88.99 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 109.898 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 54' ' ' LEU . 5.5 m-30 -64.92 -46.74 80.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.179 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 18' ' ' LYS . 80.7 mt -58.8 -46.01 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.606 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -56.76 -45.53 82.01 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.038 179.62 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.97 81.0 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.727 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.447 HG22 HD12 ' A' ' 25' ' ' ILE . 31.9 mm -70.71 -40.71 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 121.344 -0.142 . . . . 0.0 111.295 -179.769 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.607 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -82.51 -30.15 30.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 109.945 179.548 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.58 ' OE1' ' OD1' ' A' ' 28' ' ' ASN . 8.2 tm-20 -74.03 -45.48 49.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.632 179.522 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.58 ' OD1' ' OE1' ' A' ' 27' ' ' GLU . 88.6 m-20 -86.88 160.28 18.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.582 0.706 . . . . 0.0 111.808 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.605 ' C ' ' H ' ' A' ' 31' ' ' LYS . 81.6 tt0 -59.26 -26.08 64.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.334 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -49.44 -8.71 0.03 OUTLIER 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 109.808 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.605 ' H ' ' C ' ' A' ' 29' ' ' GLU . 78.0 tttt -55.99 -39.41 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.313 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.41 -32.55 71.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.149 0.5 . . . . 0.0 110.196 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -67.93 -43.12 79.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.793 -179.517 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 35' ' ' ALA . 7.6 p -62.12 -33.27 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.632 179.745 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.389 178.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.587 ' N ' HD21 ' A' ' 45' ' ' ASN . 1.5 m120 . . . . . 0 C--O 1.228 -0.05 0 N-CA-C 111.295 0.109 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 14.9 pt20 51.12 53.52 12.83 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.138 0.494 . . . . 0.0 110.886 -179.334 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.641 ' CD2' ' HE2' ' A' ' 51' ' ' HIS . 4.7 mt -46.06 -52.15 12.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.024 -179.668 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -57.25 -53.89 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.56 -178.406 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.15 -40.55 94.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.037 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.2 -45.1 88.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.866 -178.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.641 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 17.8 m170 -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.777 179.82 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -61.17 -49.99 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -57.98 -55.79 30.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.516 0.674 . . . . 0.0 110.966 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.4 tp -54.96 -50.38 69.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.118 -178.509 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.77 -43.89 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.833 -179.261 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.77 -31.9 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.583 ' O ' ' CG ' ' A' ' 60' ' ' MET . 97.8 m-70 -109.43 14.39 23.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.648 -178.689 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.551 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.672 0.272 . . . . 0.0 111.283 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 61.4 t0 -60.03 -31.7 70.2 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.5 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.0 ppp? -56.51 -26.79 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.0 p -62.36 -28.28 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.205 -179.521 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.4 mt-10 -75.16 -13.07 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.517 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.2 mmtp -85.63 24.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.021 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.717 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.56 -34.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.039 177.349 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mttm 54.54 6.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.304 0.573 . . . . 0.0 110.038 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.581 ' H ' ' C ' ' A' ' 64' ' ' TRP . 24.5 p -91.42 176.8 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.784 179.056 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -111.18 -63.34 1.42 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.56 -37.56 81.7 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.754 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 15.8 t0 -63.02 -45.28 93.11 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.545 ' CD1' ' O ' ' A' ' 66' ' ' SER . 89.8 mt -59.6 -45.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.772 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.71 -40.76 66.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.203 0.525 . . . . 0.0 109.973 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.54 -46.67 88.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 12.8 mmtt -59.09 -52.55 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.655 -179.362 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 78' ' ' TRP . 6.7 mp -57.64 -39.0 76.01 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.866 -179.484 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.529 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 3.0 m120 -56.3 -47.25 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.188 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.57 -39.94 95.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.467 . . . . 0.0 110.523 179.152 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 81' ' ' ASP . 3.0 mm-40 -74.13 -36.32 64.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.366 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 74' ' ' LEU . 4.1 t-105 -56.31 -38.64 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.231 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.542 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.9 OUTLIER -60.12 -40.43 89.68 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.0 -179.661 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -94.39 -7.08 42.63 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.778 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 77' ' ' GLN . 25.1 t70 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mttm . . . . . 0 C--O 1.231 0.092 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.7 145.15 29.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.247 0.546 . . . . 0.0 111.674 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 44.4 p -85.64 162.62 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.602 179.373 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.31 -38.8 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.35 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.599 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 93.9 m-20 -64.53 -46.54 82.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.638 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.497 ' H ' ' HG1' ' A' ' 10' ' ' THR . 71.3 mm-40 -65.28 -38.32 89.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.824 178.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.418 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 3.4 t-105 -62.76 -47.87 81.66 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.461 -179.534 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.593 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 86.9 m-20 -55.54 -41.63 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.599 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -64.89 -42.07 95.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.27 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.86 -38.15 78.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HZ3' ' CG ' ' A' ' 51' ' ' HIS . 28.6 mttt -60.03 -44.1 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.275 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.593 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.5 mp0 -61.36 -43.16 99.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.164 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -60.69 -38.57 85.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -70.47 -50.53 37.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.117 0.484 . . . . 0.0 110.11 179.452 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.465 HD13 HE21 ' A' ' 19' ' ' GLN . 56.2 mt -57.53 -43.19 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.025 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.6 -43.07 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.413 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.06 -30.98 74.98 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.079 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.6 mm -71.99 -47.95 52.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.845 0.355 . . . . 0.0 110.128 179.4 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.607 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.88 -30.13 62.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.221 179.37 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 5.2 tm-20 -72.67 -38.81 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.586 179.837 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -86.16 150.05 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 31' ' ' LYS . 54.9 tp10 -54.54 -29.64 51.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.265 179.503 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.07 -7.85 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' A' ' 29' ' ' GLU . 14.9 pttm -53.68 -37.5 63.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.178 -179.492 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.36 -32.93 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.22 0.533 . . . . 0.0 109.816 178.195 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.86 -47.65 84.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' HE21 ' A' ' 46' ' ' GLN . 9.9 p -67.94 -28.17 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.968 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' N ' HG13 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.205 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.212 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 25.3 m120 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 111.464 0.172 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.67 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 60.52 45.35 10.76 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.594 0.559 . . . . 0.0 112.273 179.072 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 83.4 mt -48.81 -48.35 41.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.05 179.526 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.76 -52.68 64.68 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.076 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.48 -40.31 92.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.963 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -59.22 -43.04 92.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 -179.012 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 21.4 m170 -58.76 -49.44 77.64 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.287 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -61.3 -47.8 84.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.026 -179.694 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -55.48 -54.17 47.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.898 0.856 . . . . 0.0 110.081 179.42 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 tp -55.39 -48.38 74.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.778 -179.031 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -56.72 -40.94 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.052 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 56' ' ' ARG . 43.6 ttt85 -63.59 -29.89 71.08 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' MET . 93.2 m-70 -107.4 17.63 22.55 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.309 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.632 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 ptm180 -55.93 -35.05 66.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.476 -179.663 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -53.74 -28.26 33.25 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.739 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.6 ptm -54.65 -34.7 62.57 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.504 179.268 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.632 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.8 p -68.2 -31.42 70.94 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.798 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.15 -28.08 65.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -84.06 -82.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.342 179.097 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.73 ' C ' ' H ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -91.86 52.95 2.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.12 179.24 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 61' ' ' CYS . 1.7 pttm -45.97 9.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -179.26 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 64' ' ' TRP . 3.1 p -75.55 165.24 25.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.099 0.476 . . . . 0.0 110.943 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttm -91.62 -68.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.431 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -62.83 -38.63 91.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 52.9 m-20 -61.57 -45.12 95.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.156 -179.561 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.633 ' CD1' ' O ' ' A' ' 66' ' ' SER . 61.0 mt -61.02 -42.48 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.423 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 22.0 mt -55.02 -39.48 69.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.954 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -62.09 -46.17 90.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.176 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.483 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 23.9 mmtm -59.64 -52.95 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 70' ' ' ILE . 6.4 mp -54.49 -40.88 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.158 -179.273 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -55.14 -44.64 75.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.38 -42.02 93.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.838 0.352 . . . . 0.0 111.433 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -73.27 -31.72 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.297 178.746 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -56.82 -41.48 77.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.34 -41.45 89.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.539 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.611 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 48.4 tttp -61.38 -40.52 94.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.304 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.611 ' OXT' ' O ' ' A' ' 80' ' ' LYS . 1.8 t70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.101 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HD3' ' NH1' ' A' ' 58' ' ' ARG . 31.7 mttt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.829 0.347 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -80.64 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.385 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.7 p -84.94 161.78 19.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.704 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.592 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 90.3 m-20 -54.51 -43.4 71.84 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.729 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 86.7 m-20 -62.7 -48.03 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.13 -38.57 91.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.321 0.581 . . . . 0.0 109.924 179.288 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 3.2 t-105 -61.43 -45.8 92.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.763 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 80.6 m-20 -57.4 -41.07 79.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.33 -179.839 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.729 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -62.56 -42.65 99.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.843 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.01 -38.41 85.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.028 179.25 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 19.1 mttm -60.23 -46.74 88.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.307 179.209 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.566 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -60.89 -43.23 98.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.829 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.92 -42.65 94.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.431 ' CZ ' HG23 ' A' ' 70' ' ' ILE . 4.9 m-30 -68.15 -48.09 66.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.447 0.642 . . . . 0.0 110.254 179.606 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -58.42 -50.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.555 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 16.9 m -56.16 -39.34 72.18 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.467 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.43 -31.61 81.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.0 mm -69.94 -35.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.589 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -90.4 -24.98 20.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.017 -179.785 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 23' ' ' SER . 71.6 mm-40 -77.29 -37.08 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.097 0.475 . . . . 0.0 109.827 178.112 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -90.85 165.02 13.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.825 179.731 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.11 -24.72 56.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.386 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -49.67 -16.97 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -179.338 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 31.2 pttt -55.77 -38.49 69.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.742 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 71.2 m-20 -63.75 -37.81 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.562 HD13 ' H ' ' A' ' 33' ' ' LEU . 10.2 mp -61.33 -43.68 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -179.118 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.3 p -75.7 -26.84 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.907 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 28.9 m120 . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 50' ' ' LEU . 46.9 mt-30 65.6 38.25 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.472 -179.487 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 26.1 mt -39.23 -53.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.344 -179.831 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.0 -59.36 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.341 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.16 -39.22 78.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 46' ' ' GLN . 3.0 tt -58.8 -43.42 90.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.6 m-70 -57.58 -47.47 82.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -59.84 -47.36 86.03 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.269 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -58.17 -56.11 26.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.689 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.69 -49.45 72.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.179 -178.427 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.66 -45.25 89.79 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.148 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 56' ' ' ARG . 12.5 ttm180 -65.08 -32.47 74.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.581 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -109.61 16.95 21.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.051 -179.344 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.66 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.8 ptm180 -51.68 -33.35 33.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.553 179.827 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -54.61 -34.33 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.587 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.67 -30.15 65.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.274 -179.123 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -62.28 -28.41 69.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.927 -179.392 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -74.5 -12.7 60.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.518 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.524 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 2.6 mtmt -84.06 22.29 1.21 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.633 0.254 . . . . 0.0 111.218 -178.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.068 178.319 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 75.5 -18.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 64' ' ' TRP . 42.8 p -88.36 141.67 28.35 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.558 179.825 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.453 ' HZ3' HD12 ' A' ' 71' ' ' LEU . 59.1 tttm -62.14 -53.4 55.98 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.381 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.97 -38.46 86.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -177.349 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 97.4 m-20 -62.63 -50.08 72.65 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.803 -179.276 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.528 HG12 ' CD1' ' A' ' 64' ' ' TRP . 28.3 mt -56.72 -46.29 83.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.656 -179.238 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 HD12 ' HZ3' ' A' ' 67' ' ' LYS . 61.5 mt -57.78 -42.53 84.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.394 -178.713 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.557 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 84.7 t60 -58.94 -45.09 91.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.998 0.428 . . . . 0.0 110.56 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 18.5 mmtt -63.14 -51.18 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.455 -179.777 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.45 -37.99 76.57 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.841 179.773 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.556 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 7.4 m120 -53.94 -51.93 62.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.452 -179.472 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.9 mp0 -67.97 -35.8 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.789 179.268 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.33 -41.74 76.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.011 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.2 -42.74 81.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.438 178.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.725 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.8 OUTLIER -61.84 -38.36 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.136 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -83.25 -1.64 53.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.599 179.239 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 65.3 t0 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.887 0.375 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -76.39 153.75 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.488 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 68.6 p -85.73 158.72 19.96 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.39 -40.32 68.07 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.143 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -65.99 -47.27 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.488 ' H ' ' HG1' ' A' ' 10' ' ' THR . 88.5 mt-10 -63.94 -39.08 93.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.391 0.615 . . . . 0.0 109.649 179.13 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -63.11 -47.31 83.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.398 179.747 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.609 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.8 m120 -57.8 -38.5 75.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.016 178.663 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -62.22 -44.03 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.025 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.47 -39.33 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.62 179.397 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' HG13 ' A' ' 22' ' ' ILE . 25.3 mttt -59.87 -46.64 88.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.676 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.609 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -60.29 -41.35 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.722 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.03 -45.49 93.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 -179.628 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.955 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 18' ' ' LYS . 91.9 mt -57.99 -49.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.995 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 m -56.04 -38.66 70.87 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.11 -33.95 81.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.765 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.582 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 17.3 mm -71.23 -46.82 63.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.761 0.315 . . . . 0.0 110.685 179.683 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -69.49 -26.05 64.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 109.388 179.263 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -74.41 -29.29 61.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.325 178.596 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.582 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 52.5 p30 -109.34 154.57 22.34 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 112.188 -179.234 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -63.8 -20.97 66.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.661 179.261 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.504 HE22 ' CG ' ' A' ' 75' ' ' ASN . 97.5 mt-30 -47.94 -23.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -178.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -49.13 -21.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.235 0.54 . . . . 0.0 110.511 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.12 -40.22 73.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.403 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.22 -35.67 77.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.689 -179.528 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -66.3 -37.5 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.867 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.953 179.539 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 48.9 m-80 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.53 0.205 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 9.0 pt20 49.56 47.92 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.716 0.769 . . . . 0.0 110.022 -178.844 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.552 ' CD2' ' HE2' ' A' ' 51' ' ' HIS . 3.6 mt -42.16 -48.62 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.202 -179.666 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -56.82 -52.25 65.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.601 -177.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.661 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.3 mm? -69.99 -38.54 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.355 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -44.87 91.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 -178.699 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.552 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 12.1 m170 -60.78 -51.18 70.45 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.016 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.34 -45.34 93.79 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.443 -179.776 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -56.55 -57.74 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.784 179.422 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.85 -49.49 73.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 -179.339 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.78 -41.16 73.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -65.34 -32.27 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.853 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.613 ' O ' ' CG ' ' A' ' 60' ' ' MET . 89.4 m-70 -111.71 16.01 20.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.275 -178.923 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.598 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.4 ptm180 -49.62 -34.36 17.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.796 0.331 . . . . 0.0 111.442 179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.72 -30.16 55.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.381 0.61 . . . . 0.0 110.415 -179.44 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.733 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.47 -32.15 66.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.291 179.312 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.0 p -66.91 -31.62 72.33 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 109.903 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 75.6 mm-40 -68.88 -26.5 65.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.059 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -77.72 -47.29 19.45 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.875 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.733 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -139.56 57.39 1.64 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.043 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 61' ' ' CYS . 21.0 pttm -50.73 17.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.113 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.715 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.9 p -77.14 158.15 30.58 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.024 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -82.13 -66.84 0.84 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.13 -39.08 91.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.48 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.36 -178.351 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 64' ' ' TRP . 78.2 mt -60.55 -40.71 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.967 -179.659 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.4 mt -55.52 -41.81 73.64 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -62.16 -44.83 95.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.849 179.524 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 13.0 mmtt -60.71 -52.69 64.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.677 -179.646 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 78' ' ' TRP . 9.2 mp -56.9 -37.43 71.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.268 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.504 ' CG ' HE22 ' A' ' 30' ' ' GLN . 87.2 m-20 -57.52 -44.58 85.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.517 179.367 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -66.36 -39.39 89.11 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.775 178.481 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.09 -35.96 74.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.524 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.4 t-105 -55.71 -43.24 76.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.172 179.266 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.13 -36.99 86.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.898 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -63.93 -34.45 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.396 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.603 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 6.9 p30 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.171 -178.666 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttm . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 121.119 0.485 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -77.87 150.5 34.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 37.0 p -83.02 161.18 21.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -56.64 -42.83 79.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.364 -179.038 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.675 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 74.9 m-20 -64.59 -42.27 95.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.404 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 94.1 mt-10 -67.75 -39.25 84.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.247 178.33 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -61.95 -46.87 87.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.439 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.608 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 88.0 m-20 -56.34 -41.54 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.455 179.319 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.675 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -62.6 -44.13 97.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.484 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.66 -38.72 85.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 25.5 mttt -59.48 -44.07 93.14 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.668 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.608 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -59.1 -44.06 91.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.164 -179.482 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.48 -41.82 97.85 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.565 179.547 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' ' CD2' ' A' ' 74' ' ' LEU . 3.9 m-30 -65.22 -47.67 76.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.826 179.195 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.47 HD11 ' NE2' ' A' ' 19' ' ' GLN . 85.9 mt -57.88 -48.99 82.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.705 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' GLU . 68.4 m -55.67 -41.52 73.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.33 90.5 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.695 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.459 HD12 ' CZ3' ' A' ' 78' ' ' TRP . 29.0 mm -70.8 -34.61 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.276 -179.643 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.566 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -80.34 -32.87 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.324 179.812 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 23' ' ' SER . 90.2 mt-10 -74.68 -39.27 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.505 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 50.1 t-20 -83.73 153.02 24.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.63 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.573 ' C ' ' H ' ' A' ' 31' ' ' LYS . 84.3 tt0 -58.98 -25.56 63.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 91.0 mt-30 -50.26 -6.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.267 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' H ' ' C ' ' A' ' 29' ' ' GLU . 25.7 pttm -54.87 -35.49 64.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -63.58 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.035 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.637 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 88.2 mt -59.95 -46.0 90.8 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 35' ' ' ALA . 6.7 p -62.14 -31.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.269 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' HG13 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.422 179.509 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.724 HD22 ' CD2' ' A' ' 47' ' ' LEU . 9.1 p30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.541 0.21 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.547 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 14.5 pt20 46.78 57.39 5.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.52 0.676 . . . . 0.0 109.802 -178.45 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.724 ' CD2' HD22 ' A' ' 45' ' ' ASN . 53.7 mt -42.73 -52.48 4.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.2 -179.116 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 11.8 p-10 -59.85 -52.77 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.855 -178.222 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 83.7 mt -67.01 -40.57 87.34 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.242 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -45.01 91.96 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.357 -179.248 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 25.0 m170 -59.81 -46.25 89.8 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.613 0.245 . . . . 0.0 110.73 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -58.7 -47.34 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.708 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.75 -55.02 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.519 179.567 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.445 HD13 ' CE2' ' A' ' 21' ' ' PHE . 15.2 tp -56.75 -53.39 58.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.354 -179.58 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -54.63 -45.3 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.161 -179.191 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' CZ ' ' CE1' ' A' ' 57' ' ' HIS . 6.0 ttt180 -60.3 -32.16 70.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.405 -179.618 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' A' ' 60' ' ' MET . 36.7 m-70 -112.3 23.88 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.188 -179.427 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -56.18 -35.44 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.277 0.561 . . . . 0.0 110.638 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' MET . 11.3 p30 -58.94 -27.55 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.649 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.3 ptt? -60.56 -30.22 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.082 -179.412 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.447 ' N ' ' HG2' ' A' ' 60' ' ' MET . 13.3 p -61.59 -28.03 69.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.22 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.44 -13.01 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -178.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 26.2 mttm -87.34 20.69 2.71 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.21 -50.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 110.59 177.948 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttm 67.82 -4.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.593 -178.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 64' ' ' TRP . 12.7 p -94.66 134.92 36.72 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.638 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -62.45 -55.65 25.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.277 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.44 -42.48 87.45 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.218 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' CG ' ' HG ' ' A' ' 66' ' ' SER . 2.6 m-20 -60.95 -47.79 84.8 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.169 -178.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 64' ' ' TRP . 84.7 mt -60.78 -43.1 94.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.614 -179.09 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 36.0 mt -57.97 -43.17 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.355 -178.799 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -61.01 -41.16 96.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.606 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -67.09 -49.94 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.689 179.846 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.579 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 4.6 mp -57.25 -41.81 80.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.539 179.15 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.403 ' HB3' HE22 ' A' ' 30' ' ' GLN . 1.7 m120 -56.23 -48.72 75.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.644 179.2 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.886 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' ASP . 95.8 mt-30 -70.49 -43.15 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.349 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.459 ' CZ3' HD12 ' A' ' 25' ' ' ILE . 1.3 t-105 -54.92 -45.5 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.427 . . . . 0.0 109.981 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.637 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 14.4 m120 -64.39 -38.05 89.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.499 179.301 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -86.06 -7.17 58.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.244 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 77' ' ' GLN . 26.5 m-20 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.64 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.31 150.03 27.27 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.86 2.373 . . . . 0.0 111.561 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' H ' ' CD1' ' A' ' 3' ' ' LEU . 5.3 mp -63.73 134.15 54.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.695 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.83 168.09 46.92 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 6.77 12.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.655 0.264 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 74.6 mtm -52.65 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.284 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.7 m120 53.47 43.15 31.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.319 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -72.77 164.93 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -79.4 144.5 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.9 p -83.79 161.23 21.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.64 -38.71 67.19 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.813 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.51 -47.77 77.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.943 0.402 . . . . 0.0 110.283 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.35 -37.67 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.529 0.68 . . . . 0.0 109.578 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.463 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.9 t-105 -62.95 -49.75 73.5 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -54.6 -39.11 67.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.064 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -63.54 -43.23 97.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.1 tp -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.104 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.574 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 70.6 mttt -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.066 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.82 -43.54 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.625 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -59.98 -43.43 95.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.618 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -64.68 -46.92 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.407 0.622 . . . . 0.0 109.768 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.498 HG23 ' ND2' ' A' ' 45' ' ' ASN . 71.7 mt -58.42 -48.27 85.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.396 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.5 t -57.56 -42.88 83.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.48 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.66 90.42 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.78 -37.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.045 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.625 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.7 -25.18 38.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.893 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -71.16 -37.31 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.259 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -89.83 151.86 21.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -57.42 -21.32 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.196 0.522 . . . . 0.0 109.703 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -57.95 -14.04 5.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.198 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 13.1 ptpt -52.25 -28.08 17.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.08 -34.8 68.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.62 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.3 mt -62.61 -44.72 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.987 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.543 HG11 ' N ' ' A' ' 35' ' ' ALA . 10.6 p -64.11 -35.86 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.024 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.543 ' N ' HG11 ' A' ' 34' ' ' VAL . . . -62.46 -41.92 99.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.31 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -74.71 -36.19 62.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.11 -38.5 70.83 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.228 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.56 ' O ' ' CB ' ' A' ' 39' ' ' ASN . 26.2 p -79.71 1.35 26.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.24 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 38' ' ' THR . 2.7 m120 90.81 -36.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.371 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.493 ' O ' ' OG ' ' A' ' 40' ' ' SER . 5.5 t 170.47 51.46 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.596 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.4 OUTLIER -113.91 148.43 39.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.001 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' O ' ' O ' ' A' ' 41' ' ' ASP . 31.3 Cg_exo -52.69 -137.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.156 1.904 . . . . 0.0 112.399 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 45' ' ' ASN . 32.8 mt -81.38 28.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.068 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.659 ' C ' ' H ' ' A' ' 46' ' ' GLN . 10.9 tpt -40.48 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.637 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.583 HD22 ' CD2' ' A' ' 47' ' ' LEU . 6.8 p30 54.67 -0.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.286 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.659 ' H ' ' C ' ' A' ' 44' ' ' MET . 21.5 mt-30 63.7 46.45 4.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.063 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.726 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 74.9 mt -43.6 -49.58 7.55 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.208 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 63.2 t0 -57.67 -62.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.515 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.19 -39.01 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.987 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 46' ' ' GLN . 4.0 tt -59.85 -46.29 89.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.726 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.5 m-70 -58.1 -50.32 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.072 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -60.87 -45.97 92.45 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.231 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.97 -51.89 67.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.399 0.619 . . . . 0.0 110.3 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.0 tp -55.16 -50.57 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.71 -42.76 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.727 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.637 ' NH2' ' HE2' ' A' ' 57' ' ' HIS . 42.0 ttp180 -63.32 -33.11 74.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.59 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.637 ' HE2' ' NH2' ' A' ' 56' ' ' ARG . 90.9 m-70 -112.58 17.62 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.044 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.0 ptm180 -52.63 -34.11 49.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.867 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 60' ' ' MET . 24.7 p-10 -59.19 -27.29 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.613 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.713 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.76 -29.81 65.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 p -61.14 -28.29 69.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.479 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -73.24 -12.78 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.416 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 22.4 mttt -84.8 19.37 2.08 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.713 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.85 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.116 178.376 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.24 -1.23 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.028 0.442 . . . . 0.0 110.114 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.6 p -83.86 -172.97 4.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -121.31 -64.76 1.2 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.81 -39.33 93.94 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.623 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.423 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 65.2 m-20 -62.53 -44.29 96.72 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.685 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.488 HG12 ' CD1' ' A' ' 64' ' ' TRP . 57.1 mt -56.4 -44.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.392 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -56.48 -38.58 71.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.798 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.3 -45.8 92.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.027 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 3.4 mptt -63.25 -47.81 80.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 6.7 mp -58.64 -38.06 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.606 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 3.5 m120 -58.41 -47.11 84.99 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.76 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.61 -37.14 85.77 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -73.11 -38.91 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.22 -42.52 86.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 75' ' ' ASN . 21.9 m120 -60.29 -41.29 93.05 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -88.04 -17.83 30.29 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.474 -0.491 . . . . 0.0 111.739 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.778 -179.604 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -61.76 141.45 90.45 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.994 2.462 . . . . 0.0 113.061 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' A' ' 4' ' ' GLY . 6.2 mp -66.27 -36.21 82.39 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.859 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 25.3 -139.66 0.01 OUTLIER Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.689 -0.564 . . . . 0.0 111.689 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -85.88 9.25 17.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.602 -0.299 . . . . 0.0 111.658 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.652 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -121.25 -162.73 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.525 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.652 ' CB ' ' O ' ' A' ' 6' ' ' MET . 5.9 t-20 96.54 130.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.719 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -52.7 162.99 0.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.78 148.39 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.066 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.443 ' HG1' ' CG ' ' A' ' 13' ' ' GLU . 58.4 p -83.49 158.38 22.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.68 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -52.5 -41.31 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.473 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.27 -46.55 80.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 110.647 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' CG ' ' HG1' ' A' ' 10' ' ' THR . 81.2 mm-40 -64.95 -36.23 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.5 ' CD1' ' NZ ' ' A' ' 18' ' ' LYS . 2.5 t-105 -63.44 -49.43 73.75 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.038 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.465 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 87.0 m-20 -53.8 -40.16 66.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.731 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -65.5 -42.25 92.31 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 35.9 tp -61.6 -37.42 83.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.877 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' NZ ' ' CD1' ' A' ' 14' ' ' TRP . 54.5 mttp -60.56 -45.33 94.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.894 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.497 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -63.13 -43.88 97.16 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.258 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.694 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 96.9 m-20 -61.87 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.965 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -66.53 -46.91 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.3 mt -57.48 -44.48 84.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.854 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 t -56.58 -42.35 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.347 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . -62.09 -35.79 91.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 mm -71.29 -36.28 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.882 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.593 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.95 -27.68 30.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.2 0.524 . . . . 0.0 109.809 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -70.01 -33.19 71.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.156 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 17.5 m-20 -99.3 146.48 26.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.353 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' A' ' 31' ' ' LYS . 83.4 tt0 -55.81 -22.39 24.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -49.04 -12.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.629 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 29' ' ' GLU . 6.2 ttpm? -49.06 -29.08 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.436 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.722 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 17.0 p30 -58.16 -29.93 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.722 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 71.6 mt -63.46 -37.13 86.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.54 -42.02 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.484 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -60.16 -46.31 90.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -67.13 -35.08 78.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.031 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.75 -39.45 88.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.898 0.38 . . . . 0.0 110.672 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 35' ' ' ALA . 0.3 OUTLIER -134.19 -145.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.516 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -78.48 -162.6 0.37 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.264 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 41' ' ' ASP . 65.5 m -76.53 3.19 11.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.442 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 40' ' ' SER . 14.3 m-20 -29.97 135.13 0.19 Allowed Pre-proline 0 N--CA 1.456 -0.172 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.2 -99.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.327 2.018 . . . . 0.0 113.023 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.463 ' N ' HD13 ' A' ' 43' ' ' ILE . 5.3 mm -86.33 -10.74 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.979 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.521 ' HE3' ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -45.94 -42.51 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.645 -178.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.694 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 2.8 m120 53.16 36.81 23.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.207 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.694 ' NE2' ' O ' ' A' ' 45' ' ' ASN . 0.8 OUTLIER 40.73 69.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 109.484 -178.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.521 ' H ' ' HE3' ' A' ' 44' ' ' MET . 75.1 mt -53.11 -45.18 68.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.717 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -58.08 -50.49 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.588 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mp -69.79 -39.65 76.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.143 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.91 -45.05 91.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.119 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.571 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -58.93 -46.73 87.25 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -59.08 -54.4 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.616 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.74 -50.13 71.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.208 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.0 -42.79 80.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.742 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.508 HH21 ' HE2' ' A' ' 57' ' ' HIS . 36.6 ttp-105 -63.14 -31.94 73.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' O ' ' CG ' ' A' ' 60' ' ' MET . 69.0 m-70 -109.79 17.34 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.4 ptm180 -53.42 -36.15 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 110.134 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -58.71 -33.13 69.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.764 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.2 ppp? -58.88 -31.5 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.641 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.512 ' N ' ' HG3' ' A' ' 60' ' ' MET . 7.9 p -59.23 -26.25 64.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -74.9 -13.17 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.806 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.577 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 33.2 mtpt -87.83 25.16 1.58 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.764 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.67 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.861 178.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 mttm 61.43 -6.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.633 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.611 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 96.3 p -83.13 172.87 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.694 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 9.8 tptt -99.99 -56.81 2.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 111.635 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.59 -45.49 86.73 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 18.9 m-20 -59.05 -43.79 91.72 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.101 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CD1' ' O ' ' A' ' 66' ' ' SER . 30.1 mt -59.58 -42.22 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.092 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.71 -38.96 76.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -63.06 -40.77 98.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.519 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptt -61.43 -48.05 82.92 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.836 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 74' ' ' LEU . 7.8 mp -55.27 -41.98 72.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -57.6 -44.74 85.65 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.472 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -69.54 -41.15 76.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.408 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.32 -40.96 86.01 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.569 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 1.3 t90 -57.83 -40.85 81.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -61.29 -41.2 96.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.489 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 47.7 mmtt -85.49 -5.36 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 79.5 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.854 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.428 ' HB2' ' SD ' ' A' ' 6' ' ' MET . 31.6 Cg_exo -56.73 7.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.099 2.533 . . . . 0.0 112.918 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.554 ' H ' ' C ' ' A' ' 1' ' ' GLY . 2.1 tp 66.34 -164.09 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 111.195 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.62 -152.69 35.81 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.78 3.31 41.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.315 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.593 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 35.0 mtt -61.29 113.44 2.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.773 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.593 ' OD1' ' O ' ' A' ' 6' ' ' MET . 87.3 m-20 -148.85 43.36 0.98 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -65.14 170.61 4.37 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.583 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -78.59 139.79 38.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.287 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.0 p -83.38 162.47 21.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.465 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -55.13 -42.6 73.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.548 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.9 -45.02 95.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.015 0.436 . . . . 0.0 110.342 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.35 -39.3 85.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.852 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -62.72 -47.99 81.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.572 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 74.6 m-20 -54.69 -39.85 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.618 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -65.03 -42.31 94.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.3 tp -59.0 -38.89 80.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.291 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -60.45 -47.81 84.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.572 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 2.9 mp0 -59.9 -43.62 94.74 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.816 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -59.44 -43.73 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' O ' HG12 ' A' ' 25' ' ' ILE . 5.3 m-30 -68.32 -46.71 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.953 0.406 . . . . 0.0 110.177 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.58 -48.8 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.817 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.2 m -55.93 -41.53 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.45 -31.1 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 21' ' ' PHE . 40.5 mm -70.71 -44.3 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.553 0.216 . . . . 0.0 111.284 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.33 -24.25 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 110.708 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -79.48 -43.04 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.464 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.523 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 25.8 p30 -84.97 162.38 19.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.063 0.459 . . . . 0.0 111.412 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.614 ' C ' ' H ' ' A' ' 31' ' ' LYS . 37.6 tp10 -60.49 -28.47 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.534 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.715 HE22 ' CG ' ' A' ' 75' ' ' ASN . 76.1 mt-30 -49.03 -6.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.411 . . . . 0.0 110.718 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.614 ' H ' ' C ' ' A' ' 29' ' ' GLU . 53.2 tttm -58.28 -36.69 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.699 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 43.8 p-10 -61.8 -33.99 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.541 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 71.2 mt -67.96 -46.51 71.22 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.759 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 31' ' ' LYS . 1.3 p -68.36 -30.31 47.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.691 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' O ' ' CA ' ' A' ' 39' ' ' ASN . . . -62.74 -44.94 94.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.88 -33.74 75.31 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.337 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.581 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 6.8 tt -63.88 -45.74 88.03 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.617 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 t -128.7 22.02 5.92 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.954 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.657 ' CA ' ' O ' ' A' ' 35' ' ' ALA . 65.5 t30 72.61 178.62 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.5 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.591 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 69.9 p -53.57 147.0 11.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.654 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.591 ' OD1' ' O ' ' A' ' 40' ' ' SER . 35.2 m-20 -174.76 135.73 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.122 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -68.62 -85.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.042 1.828 . . . . 0.0 111.232 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 pp -107.11 -16.72 8.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.774 0.321 . . . . 0.0 110.542 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.55 ' O ' ' C ' ' A' ' 45' ' ' ASN . 9.2 tpt -50.39 -42.11 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.111 0.482 . . . . 0.0 109.813 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 81.2 m-20 21.4 51.6 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.03 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.581 ' OE1' ' CD2' ' A' ' 37' ' ' LEU . 16.6 pt20 47.8 64.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.26 0.553 . . . . 0.0 111.014 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.562 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 46.8 mt -55.43 -44.28 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.78 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.47 -52.27 65.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 49' ' ' LEU . 6.2 mp -66.75 -40.07 88.15 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.301 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 5.1 tt -59.03 -45.73 89.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.007 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 24.4 m170 -58.16 -47.32 83.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.296 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -60.62 -48.97 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -57.25 -49.01 77.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.797 0.808 . . . . 0.0 109.077 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.85 -52.86 63.44 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.275 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.13 -41.54 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.64 -31.59 69.66 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.616 0.246 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.451 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.3 m-70 -114.14 23.31 13.02 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.651 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.671 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.3 ptm180 -54.14 -34.34 60.13 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.71 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.4 p30 -61.25 -29.03 69.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.031 0.443 . . . . 0.0 110.708 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.712 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.4 ptt? -56.79 -29.74 62.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.671 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 31.4 p -58.07 -28.03 64.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -76.05 -12.55 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.563 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtpp -86.16 19.85 2.53 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.712 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.44 -40.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.147 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mttp 60.77 32.19 20.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.424 ' HG ' ' HB2' ' A' ' 69' ' ' ASP . 69.0 p -150.59 136.32 18.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.139 0.495 . . . . 0.0 110.473 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -63.21 -52.05 63.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -60.98 -38.8 87.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HB2' ' HG ' ' A' ' 66' ' ' SER . 87.7 m-20 -63.08 -46.11 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.777 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.493 HG12 ' CD1' ' A' ' 64' ' ' TRP . 96.9 mt -57.9 -48.65 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.494 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.556 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 56.4 mt -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.774 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -59.09 -47.7 84.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 10.2 mmtm -63.25 -49.91 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.353 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.1 mp -58.84 -39.35 81.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.715 ' CG ' HE22 ' A' ' 30' ' ' GLN . 8.1 m120 -52.64 -48.09 66.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.59 -40.62 88.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.408 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 81' ' ' ASP . 71.4 mt-30 -70.87 -36.18 72.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.644 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t-105 -56.43 -45.54 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.547 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.541 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 2.8 m120 -69.2 -42.3 75.95 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.64 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -82.78 2.84 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.154 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 77' ' ' GLN . 76.0 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.835 -1.078 . . . . 0.0 110.466 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.07 143.65 49.8 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 123.478 2.786 . . . . 0.0 112.777 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.4 mt -94.73 128.0 41.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.049 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.26 162.78 36.98 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.691 ' C ' ' H ' ' A' ' 7' ' ' ASN . 53.4 p -80.64 3.09 23.14 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 77.9 mtm -47.63 -3.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.996 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.691 ' H ' ' C ' ' A' ' 5' ' ' SER . 51.3 p-10 -66.36 -175.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.596 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -86.6 170.06 12.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.434 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -72.39 139.89 48.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.545 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 49.6 p -85.61 164.46 17.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.908 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.616 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 64.3 m-20 -54.86 -39.85 69.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 83.7 m-20 -69.73 -42.69 73.65 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.564 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 97.9 mt-10 -66.33 -41.1 90.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 109.473 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.584 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 3.1 t-105 -64.64 -49.29 71.61 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.35 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 78.4 m-20 -54.43 -40.98 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.035 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.564 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 2.9 mt-30 -66.34 -43.97 84.59 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 56.1 tp -57.67 -39.16 76.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.126 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.644 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 21.7 mttt -58.63 -45.95 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.877 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -60.58 -43.68 97.08 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.608 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.63 -45.25 94.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.471 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -63.83 -46.81 83.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.664 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.594 ' CG2' ' ND2' ' A' ' 45' ' ' ASN . 58.3 mt -57.81 -49.49 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.576 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 m -55.36 -42.88 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.868 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -55.53 -36.47 64.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mm -76.27 -31.28 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -75.87 -33.08 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 110.01 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 87.1 mt-10 -78.87 -34.74 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.689 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 62.0 m-20 -78.65 164.71 24.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.273 0.559 . . . . 0.0 112.032 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -66.72 -26.62 67.09 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.599 ' OE1' ' OD1' ' A' ' 75' ' ' ASN . 55.8 mt-30 -50.48 -14.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.198 -1.365 . . . . 0.0 111.18 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -54.98 -40.07 69.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.095 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.44 -33.87 76.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 tp -66.1 -43.92 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.488 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.4 -33.44 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.115 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.68 82.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HB3' ' HZ3' ' A' ' 36' ' ' LYS . 6.3 mtpm? -67.54 -36.62 81.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.903 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD22 ' NE2' ' A' ' 46' ' ' GLN . 7.4 tt -62.49 -35.96 80.99 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.758 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.609 ' O ' ' C ' ' A' ' 39' ' ' ASN . 10.0 m -108.98 122.27 46.89 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.318 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.609 ' C ' ' O ' ' A' ' 38' ' ' THR . 37.6 t30 18.52 -108.95 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.225 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t -139.25 34.4 2.09 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.34 146.27 93.22 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.454 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.453 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 57.4 Cg_endo -76.71 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 123.112 2.542 . . . . 0.0 111.512 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 45' ' ' ASN . 78.6 mt -94.74 -77.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.797 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.664 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 19.2 ttt 36.66 -77.56 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.545 0.212 . . . . 0.0 111.176 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.758 ' N ' ' O ' ' A' ' 43' ' ' ILE . 13.8 m-20 92.68 22.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 34.9 mt-30 65.1 45.33 3.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.492 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.702 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 27.2 mt -43.52 -56.94 3.37 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.364 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.11 -56.26 23.77 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.53 -41.97 92.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.34 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 2.6 tt -58.94 -44.69 91.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.024 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 14.1 m170 -58.07 -46.07 86.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.859 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -60.4 -49.82 76.04 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -54.64 -53.32 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.395 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.7 tp -57.83 -51.54 69.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.032 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.47 -47.92 75.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.607 0.241 . . . . 0.0 111.56 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 110.598 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.608 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -106.88 10.58 30.56 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.458 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.657 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.3 ptm180 -49.65 -35.61 21.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.131 0.491 . . . . 0.0 111.064 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.58 -34.32 64.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.486 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.698 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.94 -29.72 63.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.122 -179.098 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.8 p -59.27 -29.25 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.287 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 85.5 mt-10 -76.63 -10.88 59.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 61.2 mttp -86.29 21.61 2.02 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.698 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.37 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.449 178.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 61.61 46.79 6.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -149.71 118.41 6.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.187 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -50.58 -62.45 1.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.23 -40.53 90.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 15.0 t0 -62.28 -45.18 94.43 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.537 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.433 HG12 ' CD1' ' A' ' 64' ' ' TRP . 47.8 mt -60.17 -42.62 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.703 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt -58.85 -42.52 89.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.75 -43.12 94.4 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 12.4 mmtt -59.5 -51.52 69.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.807 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 74' ' ' LEU . 3.9 mp -57.5 -39.59 76.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.427 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.599 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 87.0 m-20 -55.58 -43.92 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.62 -42.46 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.157 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.36 -41.13 73.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.184 0.516 . . . . 0.0 110.444 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.56 -45.42 73.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.951 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -77.55 -34.13 53.91 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.449 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -58.16 -35.64 71.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.981 0.42 . . . . 0.0 109.91 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t0 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.591 178.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.474 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 46.7 Cg_endo -92.77 -21.85 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.539 2.826 . . . . 0.0 111.646 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 4' ' ' GLY . 76.8 mt -86.31 -44.05 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.944 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . 32.48 -157.84 0.01 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -73.12 5.58 3.34 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.766 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 7' ' ' ASN . 1.6 ptt? -104.23 8.13 36.11 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.063 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.575 ' C ' ' O ' ' A' ' 6' ' ' MET . 26.3 t-20 -24.29 128.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.84 0.353 . . . . 0.0 110.363 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -77.73 152.7 33.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.03 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE1' ' SG ' ' A' ' 61' ' ' CYS . 67.6 m-85 -86.32 145.74 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 p -87.19 159.32 18.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.68 -40.29 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.427 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.62 -45.78 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.289 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -65.55 -38.38 89.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.477 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 2.8 t-105 -63.34 -48.26 78.74 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.729 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 98.3 m-20 -55.16 -39.03 69.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.214 0.53 . . . . 0.0 109.746 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -62.8 -43.37 98.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.81 -37.41 87.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.382 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -59.08 -45.48 90.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.703 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.688 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -64.37 -40.56 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.502 ' HB3' ' HZ1' ' A' ' 67' ' ' LYS . 68.2 m-20 -60.36 -46.64 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.326 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.3 m-30 -61.58 -50.35 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.478 HD12 HD22 ' A' ' 45' ' ' ASN . 92.8 mt -57.3 -50.59 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.953 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 8.5 t -54.42 -39.44 67.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.557 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.28 80.84 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 21' ' ' PHE . 18.2 mm -72.91 -43.11 60.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.883 0.373 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.626 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -77.07 -30.2 55.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.887 178.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' SER . 40.3 tp10 -75.7 -29.26 58.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.772 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 30' ' ' GLN . 77.2 m-20 -101.45 153.32 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.138 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.628 ' NE2' ' ND2' ' A' ' 75' ' ' ASN . 73.7 mt-30 -47.42 -24.25 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.822 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 3.3 pttm -49.58 -36.11 22.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 109.97 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.61 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 92.9 m-20 -59.96 -41.29 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.101 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.547 ' H ' HD12 ' A' ' 33' ' ' LEU . 8.7 mp -61.68 -38.81 89.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.871 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -43.0 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.656 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -59.53 -38.05 80.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -63.14 -48.25 79.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.887 0.375 . . . . 0.0 110.72 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tt -69.27 -44.75 71.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.922 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.509 ' O ' ' O ' ' A' ' 35' ' ' ALA . 27.7 p -84.7 154.79 22.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.894 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -97.86 -85.72 0.36 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 76.9 p -92.04 5.65 49.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.444 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -117.26 89.14 30.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.547 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -80.33 -68.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.636 2.224 . . . . 0.0 112.243 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.579 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 78.5 mt -62.64 -23.94 34.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.3 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.563 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 10.7 ttt -57.66 -23.89 53.76 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.002 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.579 ' OD1' ' O ' ' A' ' 43' ' ' ILE . 1.5 p-10 47.38 35.64 4.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.755 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.572 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 2.0 pt20 48.69 54.95 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.263 0.554 . . . . 0.0 110.118 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.648 ' CD2' ' HE2' ' A' ' 51' ' ' HIS . 6.4 mt -47.59 -48.1 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.601 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -58.42 -52.08 67.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.538 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -66.7 -41.18 88.43 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.139 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -59.14 -44.19 92.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.559 -178.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.648 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 23.7 m170 -59.55 -46.91 87.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.699 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -60.76 -48.83 80.03 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.288 0.566 . . . . 0.0 109.637 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.53 -54.3 45.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.395 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.2 tp -55.62 -49.16 73.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.175 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -55.5 -43.16 75.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -63.0 -31.57 72.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.524 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.643 ' O ' ' SD ' ' A' ' 60' ' ' MET . 86.7 m-70 -112.91 20.03 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -55.49 -34.44 64.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 111.761 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.536 ' O ' ' OE1' ' A' ' 62' ' ' GLU . 77.0 m-20 -58.36 -28.25 64.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.828 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.73 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.9 ptm -55.59 -35.18 65.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.947 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.633 ' SG ' ' CD ' ' A' ' 62' ' ' GLU . 30.4 p -61.99 -29.84 70.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.246 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.633 ' CD ' ' SG ' ' A' ' 61' ' ' CYS . 58.9 mp0 -76.39 -13.72 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.606 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.94 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.287 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.732 ' C ' ' H ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -84.6 -33.1 23.43 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.467 179.555 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HB3' ' HZ3' ' A' ' 65' ' ' LYS . 7.2 ttpm? 58.52 -7.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.756 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.732 ' H ' ' C ' ' A' ' 64' ' ' TRP . 3.1 p -85.42 157.07 20.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.209 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.502 ' HZ1' ' HB3' ' A' ' 20' ' ' ASP . 17.1 tttp -93.12 -63.16 1.25 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.164 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.585 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 41.7 mp0 -60.56 -37.36 81.0 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.063 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -63.28 -44.7 94.35 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.921 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 HG12 ' CD1' ' A' ' 64' ' ' TRP . 86.0 mt -60.53 -39.9 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 90.6 mt -56.95 -41.74 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.4 -43.19 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.345 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.67 -50.38 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 78' ' ' TRP . 7.5 mp -56.06 -44.06 78.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.112 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.628 ' ND2' ' NE2' ' A' ' 30' ' ' GLN . 24.1 m-20 -55.46 -44.83 76.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.473 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.22 -41.39 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.6 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.69 -41.86 74.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.079 0.466 . . . . 0.0 110.321 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.7 t-105 -59.27 -39.25 82.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.93 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.546 ' ND2' ' CD2' ' A' ' 33' ' ' LEU . 3.2 m120 -72.94 -41.99 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -63.01 -41.93 99.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.136 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.498 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 13.1 t0 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.169 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -47.86 141.38 16.62 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.15 1.9 . . . . 0.0 112.014 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.3 tp 46.66 21.27 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.654 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.8 149.56 46.58 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.578 ' C ' ' H ' ' A' ' 7' ' ' ASN . 47.5 m -70.39 -8.43 50.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.324 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -60.12 -3.02 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.578 ' H ' ' C ' ' A' ' 5' ' ' SER . 23.8 t-20 -100.9 124.84 47.19 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.352 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -105.93 -173.23 2.25 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.787 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -77.08 145.09 38.08 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.075 0.464 . . . . 0.0 111.673 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -83.69 159.7 21.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.305 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.519 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 88.3 m-20 -55.92 -41.45 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.385 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.678 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 65.3 m-20 -65.65 -45.04 84.47 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.824 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -66.1 -42.95 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.34 0.591 . . . . 0.0 109.79 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.469 ' CZ3' HD21 ' A' ' 17' ' ' LEU . 6.3 t-105 -60.54 -45.73 92.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.01 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 90.5 m-20 -54.0 -40.71 67.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.655 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.678 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -63.86 -42.65 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD21 ' CZ3' ' A' ' 14' ' ' TRP . 48.8 tp -62.34 -35.4 78.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.827 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.766 ' HZ1' ' ND1' ' A' ' 51' ' ' HIS . 68.0 mttt -58.27 -44.03 88.21 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.804 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.83 -41.75 98.17 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.724 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.94 -40.4 84.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CE2' ' CD2' ' A' ' 74' ' ' LEU . 4.4 m-30 -65.84 -45.33 82.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.9 mt -59.55 -45.77 93.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.731 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -57.64 -45.62 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.675 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.92 -30.31 74.94 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.479 HD12 ' CZ2' ' A' ' 78' ' ' TRP . 5.6 mm -70.63 -38.27 72.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.797 0.332 . . . . 0.0 110.616 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.586 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -73.26 -35.76 66.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -89.91 157.73 17.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' LYS . 47.4 tt0 -57.11 -25.25 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -50.45 -12.57 0.1 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.512 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 42' ' ' PRO . 40.7 tttp -56.49 -35.64 68.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.269 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.714 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 31.6 p30 -60.77 -36.07 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.909 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.714 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 40.6 tp -66.85 -49.0 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.664 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -31.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.372 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.68 -54.28 48.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -57.31 -38.11 73.53 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.548 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' CD1' ' OE1' ' A' ' 46' ' ' GLN . 9.3 tt -56.24 -40.17 73.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.045 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.4 m -121.06 -82.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.68 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.65 ' C ' ' H ' ' A' ' 41' ' ' ASP . 50.3 t30 -165.23 -177.75 4.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -67.6 27.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.37 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.65 ' H ' ' C ' ' A' ' 39' ' ' ASN . 76.8 m-20 -69.84 113.72 19.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.992 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.564 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 43.1 Cg_exo -49.32 -74.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.682 2.255 . . . . 0.0 112.578 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 45' ' ' ASN . 20.5 mm -89.87 -75.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.758 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.542 ' CE ' ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -43.6 81.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.371 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.699 ' N ' ' O ' ' A' ' 43' ' ' ILE . 65.1 m-20 -112.21 92.84 4.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.105 0.478 . . . . 0.0 110.51 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.558 ' OE1' ' CD1' ' A' ' 37' ' ' LEU . 12.7 pt20 48.54 59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.391 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.542 ' H ' ' CE ' ' A' ' 44' ' ' MET . 8.8 mt -60.17 -45.65 92.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.829 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.74 -51.34 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.698 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -66.68 -41.21 88.46 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.448 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 4.3 tt -58.28 -44.4 88.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.98 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.766 ' ND1' ' HZ1' ' A' ' 18' ' ' LYS . 17.3 m170 -59.81 -46.55 88.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.281 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.19 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.252 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -58.19 -49.17 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.416 ' CD1' ' CE2' ' A' ' 21' ' ' PHE . 19.9 tp -58.88 -54.74 43.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.233 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 28.3 m-20 -56.72 -41.17 76.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.225 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.497 HH11 ' HG3' ' A' ' 56' ' ' ARG . 39.2 ttm-85 -60.54 -32.89 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.36 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.61 ' O ' ' CG ' ' A' ' 60' ' ' MET . 84.5 m-70 -114.54 24.69 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -53.15 -33.7 53.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.94 -25.66 65.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.632 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.745 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.06 -33.36 67.16 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.608 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.9 p -66.73 -30.33 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.208 0.528 . . . . 0.0 110.28 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 74.9 mm-40 -74.55 -29.05 61.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -75.48 -44.97 41.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -127.36 49.22 2.12 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.8 179.693 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' TRP . 37.1 tttt -35.44 82.09 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.79 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.677 ' N ' ' O ' ' A' ' 64' ' ' TRP . 26.0 p -153.04 166.5 32.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -100.29 -69.64 0.76 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -61.88 -37.66 85.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 111.033 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.463 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -61.39 -51.36 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.652 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.489 HG12 ' CD1' ' A' ' 64' ' ' TRP . 34.7 mt -60.23 -43.82 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.639 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.663 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 79.6 mt -55.37 -40.59 71.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.699 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.453 ' HD1' ' C ' ' A' ' 72' ' ' HIS . 1.2 t-80 -61.78 -45.39 94.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtm -60.73 -51.51 69.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.43 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.669 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -58.01 -39.46 78.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.511 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.663 ' ND2' ' O ' ' A' ' 71' ' ' LEU . 3.6 m120 -55.15 -46.63 75.7 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.312 0.577 . . . . 0.0 109.935 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 94.4 mt-10 -64.63 -39.51 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.332 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.43 -35.72 58.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.348 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.479 ' CZ2' HD12 ' A' ' 25' ' ' ILE . 4.4 t-105 -55.31 -41.55 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.826 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -58.52 -38.17 77.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.434 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 81' ' ' ASP . 25.1 mttm -58.95 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.727 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.501 ' O ' ' O ' ' A' ' 80' ' ' LYS . 65.1 t0 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.558 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -61.05 152.65 69.85 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.087 2.524 . . . . 0.0 112.465 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 3.6 mp -80.03 142.34 35.06 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.62 -143.3 4.0 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -65.1 -5.11 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.98 0.419 . . . . 0.0 110.07 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 6' ' ' MET . 1.7 mpp? -90.75 -24.28 20.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.594 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -59.24 140.28 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.397 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -76.78 -178.0 4.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.711 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -74.21 149.74 40.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.04 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 p -85.03 159.88 20.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.243 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -54.54 -40.57 68.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.776 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.23 -43.95 76.82 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 99.0 mt-10 -65.16 -40.24 94.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 109.184 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.481 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.6 t-105 -63.41 -48.4 77.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.765 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.593 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 7.1 m120 -56.23 -43.89 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.989 0.423 . . . . 0.0 111.024 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 1.8 mt-30 -61.38 -41.61 97.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 34.4 tp -62.22 -39.89 94.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.436 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.539 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.4 mttt -57.62 -42.09 82.64 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.076 0.465 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.593 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 4.2 mp0 -64.41 -39.59 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.12 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.629 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 90.4 m-20 -58.55 -42.88 88.88 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.933 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CD2' HD11 ' A' ' 54' ' ' LEU . 29.3 m-85 -63.85 -50.46 68.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.47 HG21 ' ND2' ' A' ' 45' ' ' ASN . 77.7 mt -58.08 -42.21 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.495 ' OG ' ' O ' ' A' ' 19' ' ' GLN . 44.6 m -58.48 -49.95 75.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.553 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.57 75.45 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.672 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.7 mm -71.76 -46.41 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.653 -0.322 . . . . 0.0 110.82 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.524 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -80.26 -28.12 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -72.84 -44.77 61.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.576 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -88.86 167.23 13.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.127 0.489 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' C ' ' H ' ' A' ' 31' ' ' LYS . 46.2 tp10 -59.37 -23.64 62.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.802 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -50.54 -7.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.279 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.591 ' H ' ' C ' ' A' ' 29' ' ' GLU . 15.1 pttp -60.01 -30.38 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.752 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -58.53 -35.85 72.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD11 ' H ' ' A' ' 33' ' ' LEU . 8.3 mp -62.74 -36.89 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.58 HG21 HE22 ' A' ' 46' ' ' GLN . 0.9 OUTLIER -68.22 -37.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.636 ' O ' ' ND2' ' A' ' 39' ' ' ASN . . . -61.65 -43.21 99.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.202 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -63.24 -43.25 98.6 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.616 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -62.24 -41.67 98.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -152.58 100.82 2.59 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.501 0.667 . . . . 0.0 111.395 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.636 ' ND2' ' O ' ' A' ' 35' ' ' ALA . 17.8 m120 -66.95 150.62 48.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.878 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 80.97 -12.43 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.198 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.661 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -124.91 79.2 64.92 Favored Pre-proline 0 C--N 1.333 -0.135 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.53 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -79.52 -64.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 123.045 2.497 . . . . 0.0 112.308 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.681 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 73.4 mt -63.03 -27.26 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.113 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.8 tpt -56.82 -34.82 68.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.133 0.492 . . . . 0.0 109.715 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 55.9 m-80 44.12 29.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.47 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.58 HE22 HG21 ' A' ' 34' ' ' VAL . 11.2 pm0 45.05 64.43 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.889 0.852 . . . . 0.0 109.831 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.691 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.3 mt -48.56 -48.13 38.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.121 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 49' ' ' LEU . 29.9 p-10 -59.78 -53.67 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 7.1 mp -69.56 -41.98 75.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 7.5 tt -58.5 -44.04 89.28 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.839 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.691 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 13.0 m-70 -58.32 -49.58 76.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.56 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -58.16 -43.17 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -58.35 -54.95 41.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.658 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ARG . 9.5 tp -56.72 -52.44 64.97 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.757 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -56.42 -43.6 79.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.134 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 13.2 ttm105 -63.24 -31.53 72.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.965 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -112.85 17.57 18.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.378 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.576 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.3 ptm180 -50.28 -34.09 22.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.086 0.47 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.39 -31.33 67.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.645 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.73 -27.42 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 0.0 111.054 179.696 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.576 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.0 p -61.61 -29.54 70.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.576 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 98.9 mt-10 -77.57 -12.0 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 30.0 mtmt -84.69 23.06 1.21 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.724 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.03 -45.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.638 178.737 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttm 67.71 -19.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.655 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.8 p -86.34 123.84 32.03 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.629 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 7.1 tptm -58.56 -51.91 67.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.304 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -56.83 -40.9 76.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.037 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 46.7 m-20 -62.24 -43.49 98.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.123 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 64' ' ' TRP . 73.5 mt -58.05 -50.45 78.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.731 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.33 -42.73 74.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -60.12 -44.97 94.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -64.69 -48.7 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.025 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 74' ' ' LEU . 3.5 mp -57.57 -40.34 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -56.07 -44.4 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -67.19 -41.0 86.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.7 -36.66 78.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 0.0 109.69 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -56.8 -49.05 76.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.875 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -70.14 -34.39 72.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.375 0.607 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -64.58 -36.77 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.038 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.87 -179.09 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -53.09 -58.73 1.31 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.458 2.105 . . . . 0.0 112.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.3 tp -80.88 -59.43 2.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.02 175.05 29.52 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.09 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.56 ' O ' ' C ' ' A' ' 6' ' ' MET . 85.0 p -79.56 -15.42 57.72 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 110.521 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.56 ' C ' ' O ' ' A' ' 5' ' ' SER . 46.5 mtt -22.72 114.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.033 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.583 ' OD1' ' O ' ' A' ' 7' ' ' ASN . 38.6 p-10 -167.54 139.76 3.22 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.9 0.381 . . . . 0.0 111.101 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -87.99 173.63 8.78 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.912 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -75.72 145.31 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.554 . . . . 0.0 111.446 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.718 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 18.1 p -80.73 158.0 25.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.644 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.22 -40.95 68.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 87.6 m-20 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.684 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.718 ' H ' ' HG1' ' A' ' 10' ' ' THR . 77.9 mm-40 -64.16 -39.37 93.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.745 0.783 . . . . 0.0 109.412 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.467 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -62.95 -48.34 79.31 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.357 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.505 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 84.3 m-20 -54.37 -42.33 70.2 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.279 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.588 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -64.51 -43.31 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.92 -36.45 79.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.269 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.613 ' HZ1' ' CG ' ' A' ' 51' ' ' HIS . 22.8 mttm -61.72 -46.77 88.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.584 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.505 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -60.14 -40.08 88.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.489 -179.502 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.96 -44.57 96.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.793 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.462 ' CD2' ' CD2' ' A' ' 74' ' ' LEU . 4.8 m-30 -63.71 -43.55 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 96.3 mt -58.38 -45.13 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -58.57 -45.32 89.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.621 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.1 63.47 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.468 HD13 ' CE3' ' A' ' 78' ' ' TRP . 19.5 mm -74.6 -43.79 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.575 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.13 -29.4 62.87 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.147 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.17 -40.77 44.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.423 ' HB3' HE21 ' A' ' 30' ' ' GLN . 86.6 m-20 -82.77 159.02 22.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.0 tt0 -57.0 -24.31 52.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.6 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -51.91 -10.89 0.13 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.823 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' O ' HG13 ' A' ' 34' ' ' VAL . 40.0 ttpt -56.44 -38.09 71.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.342 0.592 . . . . 0.0 111.532 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -66.79 -39.9 87.94 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.213 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.713 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 86.0 mt -60.74 -45.69 93.32 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.359 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.532 ' CG2' ' NE2' ' A' ' 46' ' ' GLN . 10.3 p -64.81 -30.04 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.843 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.558 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -60.01 -47.02 87.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.212 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -63.37 -36.88 85.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.178 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.5 tp -57.55 -47.43 82.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.22 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.558 ' O ' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -109.47 160.75 15.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.861 0.363 . . . . 0.0 110.368 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -88.3 119.64 28.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.168 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.537 ' O ' ' C ' ' A' ' 41' ' ' ASP . 28.6 t 62.54 -78.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.426 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -29.74 98.38 0.1 Allowed Pre-proline 0 N--CA 1.465 0.319 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.492 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 73.1 Cg_endo -92.09 -66.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 123.062 2.508 . . . . 0.0 112.209 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -56.12 -36.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.805 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.474 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 11.6 ttt -48.78 -36.03 15.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.707 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.716 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 2.6 m120 55.58 34.31 22.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.585 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.716 ' NE2' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 52.94 45.67 28.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.515 0.674 . . . . 0.0 110.055 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 6.3 mt -29.22 -54.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -60.07 -54.74 42.42 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.492 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 1.9 tt -57.37 -44.43 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 19.4 m170 -57.98 -46.55 84.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.279 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.66 -48.38 82.04 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.432 ' CH2' ' OE1' ' A' ' 77' ' ' GLN . 69.4 t90 -56.05 -52.6 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.14 -52.21 66.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.254 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.63 -41.97 67.29 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.144 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -62.46 -33.66 75.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.577 ' O ' ' CG ' ' A' ' 60' ' ' MET . 76.7 m-70 -110.79 19.76 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.301 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.725 0.297 . . . . 0.0 111.334 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -57.37 -34.48 68.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 109.988 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.735 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.4 ppp? -60.5 -28.07 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.939 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 11.2 p -60.03 -28.03 67.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.449 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -76.82 -13.12 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.274 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.548 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 91.4 mttt -82.15 20.42 1.03 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.564 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.735 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.22 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.788 178.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.32 -6.27 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.723 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.0 p -89.49 174.92 7.52 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.497 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -112.24 -53.0 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.69 -37.65 87.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -65.46 -44.23 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.188 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 66' ' ' SER . 65.5 mt -61.93 -40.58 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.203 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 HD23 ' CE1' ' A' ' 21' ' ' PHE . 83.4 mt -58.08 -41.4 83.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.565 ' CE1' ' OE2' ' A' ' 76' ' ' GLU . 11.3 t-80 -61.28 -39.5 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 110.164 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -61.83 -48.15 81.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.685 178.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.9 mp -57.92 -40.38 80.28 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.65 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.37 -48.05 80.06 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.369 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.565 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 96.4 mt-10 -65.01 -39.15 93.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.546 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 89.1 mt-30 -70.46 -38.71 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.345 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.531 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 1.1 t-105 -56.69 -46.62 81.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.391 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.713 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 4.0 m120 -65.35 -39.73 92.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' ASP . 27.0 mtpt -83.71 1.78 40.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.658 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' CG ' ' O ' ' A' ' 78' ' ' TRP . 76.9 m-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.723 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -53.21 140.03 62.12 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.773 2.315 . . . . 0.0 112.252 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 6.9 mp -64.81 -34.03 77.4 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 35.82 -146.35 0.06 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.493 ' O ' ' O ' ' A' ' 6' ' ' MET . 51.4 p -92.87 10.2 32.12 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.346 0.128 . . . . 0.0 111.346 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.585 ' O ' ' O ' ' A' ' 7' ' ' ASN . 16.9 mtt -43.78 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.691 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.585 ' O ' ' O ' ' A' ' 6' ' ' MET . 0.4 OUTLIER 28.65 -151.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.652 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' ASN . 97.4 mttt -50.19 -179.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -74.1 151.04 40.22 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.029 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.412 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 27.7 p -85.22 160.36 19.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.702 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.468 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 53.2 m-20 -55.07 -40.54 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.281 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.57 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 79.9 m-20 -66.78 -45.45 78.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.983 0.42 . . . . 0.0 110.708 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 93.5 mt-10 -63.9 -39.76 94.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.567 0.699 . . . . 0.0 109.422 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.465 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.1 t-105 -62.47 -45.38 93.33 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.316 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.544 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.5 m120 -55.75 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.69 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.614 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -63.93 -41.91 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 21.6 tp -59.72 -38.65 82.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.699 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 24.7 mttt -61.22 -45.78 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.49 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.694 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 2.5 mp0 -61.18 -44.2 97.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.71 -42.11 96.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.471 ' CD1' HD11 ' A' ' 71' ' ' LEU . 5.6 m-30 -67.02 -45.22 78.17 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.172 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 m -56.6 -41.91 77.84 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.512 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . -61.14 -32.23 79.74 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mm -73.08 -37.95 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.345 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.52 -29.24 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 75.4 mm-40 -75.99 -34.62 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.537 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -95.34 168.41 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.346 0.594 . . . . 0.0 111.548 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.07 -25.98 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.32 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' HB3' HD22 ' A' ' 28' ' ' ASN . 4.6 tt0 -54.05 -15.76 1.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.798 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -57.7 -38.32 75.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.428 0.632 . . . . 0.0 109.784 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -61.11 -44.87 96.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.035 179.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.404 HD22 ' CD1' ' A' ' 78' ' ' TRP . 11.1 tp -55.21 -39.65 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.342 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.5 HG11 ' N ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -64.83 -37.1 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.13 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.5 ' N ' HG11 ' A' ' 34' ' ' VAL . . . -65.15 -37.59 87.89 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.467 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 30.7 mmtp -62.75 -41.17 99.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.272 0.558 . . . . 0.0 109.604 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' C ' ' CD2' ' A' ' 37' ' ' LEU . 6.7 tt -68.81 -45.25 71.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.96 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.2 p -84.99 167.41 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 40' ' ' SER . 12.0 p-10 -102.69 -39.86 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.442 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 16.0 t -146.27 34.69 0.98 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.636 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.417 ' OD2' ' SD ' ' A' ' 44' ' ' MET . 2.6 m-20 -115.5 110.3 45.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -84.57 -71.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.092 1.861 . . . . 0.0 111.31 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 45' ' ' ASN . 98.5 mt -79.82 -44.27 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.711 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.8 mtp -32.19 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.161 0.505 . . . . 0.0 109.886 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.612 ' N ' ' O ' ' A' ' 43' ' ' ILE . 7.7 m120 44.33 43.55 6.11 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.549 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.543 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 16.6 pt20 49.24 58.5 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.676 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 25.8 mt -48.51 -49.38 36.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.566 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 14.5 p-10 -61.16 -56.22 23.28 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.75 -40.35 94.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.666 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 5.9 tt -58.94 -45.4 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.984 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 15.4 m170 -61.06 -45.97 92.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.319 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -59.98 -48.09 83.13 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.58 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.805 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.9 tp -58.24 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.665 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -56.97 -43.24 81.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.374 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -60.89 -33.71 73.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.555 ' O ' ' CG ' ' A' ' 60' ' ' MET . 88.2 m-70 -116.04 23.32 12.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.553 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -52.55 -33.3 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.087 0.47 . . . . 0.0 110.225 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.698 ' OD1' ' N ' ' A' ' 60' ' ' MET . 45.2 p-10 -58.66 -28.89 66.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.484 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.708 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.64 -27.47 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -179.568 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.553 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 22.0 p -62.01 -28.24 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.741 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.72 -14.83 61.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.78 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HZ3' ' HA ' ' A' ' 60' ' ' MET . 23.6 mttp -84.61 17.94 2.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.755 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.708 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.39 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.163 178.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp 64.05 0.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.642 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 79.1 p -84.33 166.34 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 71' ' ' LEU . 23.4 tttm -98.15 -70.77 0.71 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.34 -40.13 85.35 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.68 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 29.2 t0 -61.97 -41.98 98.61 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.642 ' CD1' ' O ' ' A' ' 66' ' ' SER . 48.2 mt -58.78 -46.43 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.29 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 8.2 mp -55.21 -37.75 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.238 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -62.35 -46.8 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.337 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.68 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 13.2 mmtm -61.33 -50.73 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.0 mp -56.11 -41.84 75.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.244 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 6.3 m120 -55.0 -42.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.438 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.05 -43.16 88.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.545 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 94.4 mm-40 -71.9 -36.68 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.759 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.404 ' CD1' HD22 ' A' ' 33' ' ' LEU . 1.4 t-105 -55.06 -43.33 73.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -64.16 -36.56 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.897 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.8 -6.35 58.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.404 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 1.4 m-20 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.399 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -60.07 160.29 22.95 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.974 2.449 . . . . 0.0 112.303 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.5 tp 64.88 -93.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.516 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.12 -166.2 29.59 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -55.62 -32.6 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.547 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 75.6 mtm -71.06 115.67 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.241 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.775 ' H ' HD21 ' A' ' 7' ' ' ASN . 0.0 OUTLIER -140.93 86.11 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.104 -179.529 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -69.76 -178.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.078 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -77.82 134.31 38.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.286 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.525 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 59.1 p -85.61 162.46 18.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.773 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.649 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 94.7 m-20 -54.04 -40.16 66.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.803 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -65.39 -48.69 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.418 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.525 ' H ' ' HG1' ' A' ' 10' ' ' THR . 96.7 mt-10 -64.04 -39.89 95.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.396 0.617 . . . . 0.0 109.487 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.42 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.9 t-105 -63.82 -49.4 72.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.541 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.649 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 85.0 m-20 -55.1 -38.64 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.089 0.471 . . . . 0.0 110.557 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -63.37 -42.61 98.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.94 -37.92 84.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.244 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.521 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.8 mttt -59.28 -44.97 92.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.578 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -62.23 -41.7 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.762 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.38 -43.57 92.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.681 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -65.64 -47.74 74.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.554 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 95.4 mt -59.16 -43.87 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.384 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 t -57.62 -46.49 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.349 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.521 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.02 -31.92 69.7 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.505 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 65.4 mt -70.5 -51.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.824 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.59 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -68.54 -31.68 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 0.0 109.764 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tm-20 -75.39 -42.52 53.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.962 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.711 ' C ' HD21 ' A' ' 28' ' ' ASN . 0.1 OUTLIER -88.5 163.14 16.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.277 0.56 . . . . 0.0 111.221 -179.415 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 31' ' ' LYS . 31.5 tt0 -63.05 -25.67 68.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.412 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -54.5 -7.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.967 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 29' ' ' GLU . 17.4 tttm -50.22 -28.05 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.954 0.407 . . . . 0.0 110.588 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -59.26 -36.32 75.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 7.9 mp -56.1 -40.86 74.32 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.604 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -43.68 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.065 0.46 . . . . 0.0 109.784 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.697 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -62.76 -40.53 97.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.714 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' NZ ' ' HB2' ' A' ' 36' ' ' LYS . 10.3 mtmp? -61.92 -39.98 93.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.215 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.519 ' CD1' ' OE1' ' A' ' 46' ' ' GLN . 9.2 tt -77.55 -38.84 47.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -114.78 -16.26 11.79 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.575 0.584 . . . . 0.0 112.575 -178.449 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.697 ' N ' ' O ' ' A' ' 35' ' ' ALA . 29.6 m120 55.74 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.382 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.601 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 36.9 m -74.23 124.73 26.95 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.341 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 40' ' ' SER . 20.1 m-20 149.22 107.46 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -57.18 -75.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 121.886 1.724 . . . . 0.0 110.956 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.774 ' O ' ' N ' ' A' ' 45' ' ' ASN . 8.7 mm -95.24 -80.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.73 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.587 ' SD ' ' OD2' ' A' ' 41' ' ' ASP . 0.0 OUTLIER 32.05 -77.55 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.411 0.444 . . . . 0.0 111.023 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.774 ' N ' ' O ' ' A' ' 43' ' ' ILE . 12.5 m120 69.33 38.45 1.84 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.519 ' OE1' ' CD1' ' A' ' 37' ' ' LEU . 70.1 mt-30 64.55 45.33 3.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.558 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.646 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 18.2 mt -41.56 -55.68 2.81 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.087 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -61.67 -56.04 24.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.83 -43.39 79.67 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.991 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -58.48 -41.38 85.15 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 3.9 m-70 -59.05 -49.47 77.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.905 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.466 ' CH2' ' OE1' ' A' ' 77' ' ' GLN . 36.9 t90 -53.69 -55.85 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.52 -49.63 72.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.505 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 66.6 m-20 -55.63 -43.45 76.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -64.09 -33.15 75.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.453 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.2 m-70 -109.56 18.25 20.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.318 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.579 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.9 ptm180 -54.6 -36.28 64.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.02 -28.75 66.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.724 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.0 ptt? -57.91 -30.27 65.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.827 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.579 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -60.26 -27.25 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -74.2 -13.48 60.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.767 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 32.6 mtpt -87.27 19.84 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.305 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.724 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.09 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.409 -0.517 . . . . 0.0 112.018 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt 63.57 -0.64 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.559 ' H ' ' C ' ' A' ' 64' ' ' TRP . 92.9 p -83.75 170.84 13.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.567 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -107.09 -67.64 0.94 Allowed 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -61.47 -39.93 92.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.989 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.47 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.795 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 66' ' ' SER . 63.5 mt -58.26 -42.33 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.934 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.6 mt -56.61 -41.53 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.371 . . . . 0.0 110.416 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.449 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtt -60.34 -50.64 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 6.9 mp -56.71 -42.43 79.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.792 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.534 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 94.2 m-20 -54.83 -46.78 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.811 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.7 -39.87 80.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.871 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.466 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 37.0 tt0 -68.12 -41.07 82.29 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.37 -40.38 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.631 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.534 ' OD1' ' O ' ' A' ' 75' ' ' ASN . 31.2 m120 -64.83 -43.71 92.18 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.405 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.61 -9.03 58.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.938 0.399 . . . . 0.0 110.511 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD2' ' NE1' ' A' ' 53' ' ' TRP . 42.6 t0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.549 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.66 155.72 30.55 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.953 2.436 . . . . 0.0 112.498 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -86.34 140.46 30.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.2 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.38 179.1 51.68 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -102.28 147.94 26.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.017 0.436 . . . . 0.0 110.768 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 29.1 mtt -139.68 -37.62 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.644 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.541 ' ND2' ' N ' ' A' ' 7' ' ' ASN . 1.0 OUTLIER -93.03 155.6 17.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.014 -179.293 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.703 ' NZ ' ' NH2' ' A' ' 58' ' ' ARG . 6.4 mtmp? -93.43 -172.42 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.67 143.42 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.3 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.4 p -82.48 163.14 21.78 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -55.92 -40.01 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.908 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.683 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 98.8 m-20 -65.6 -47.32 76.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.368 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.83 -40.88 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.469 0.652 . . . . 0.0 109.277 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.617 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.5 t-105 -62.61 -45.02 94.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.357 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.587 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 69.9 m-20 -54.15 -40.33 67.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.299 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.683 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 4.6 mp0 -65.19 -42.02 93.97 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.561 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 42.2 tp -59.04 -39.41 81.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.532 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 29.3 mttt -61.12 -46.85 88.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.587 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.1 mp0 -60.11 -45.27 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.923 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.09 -47.33 86.81 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.4 m-30 -59.78 -46.58 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.75 -44.21 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 20.9 t -57.08 -43.84 82.54 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.01 93.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.581 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 13.1 mm -75.76 -40.31 39.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.989 0.423 . . . . 0.0 110.76 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.589 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.82 -30.93 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -78.57 -42.02 30.36 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.732 0.301 . . . . 0.0 111.23 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.642 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 56.8 p30 -78.81 171.91 14.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.135 0.493 . . . . 0.0 111.773 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -62.77 -29.77 70.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.642 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 91.5 mt-30 -49.35 -15.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.45 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HZ3' ' HG3' ' A' ' 31' ' ' LYS . 4.6 ptmm? -56.9 -33.83 67.31 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.063 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.71 -36.7 83.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.28 0.562 . . . . 0.0 109.766 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.13 -39.83 94.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.491 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.09 -41.92 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.384 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.534 ' O ' ' O ' ' A' ' 39' ' ' ASN . . . -61.18 -43.51 98.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.052 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -63.73 -36.88 85.33 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.526 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' CD1' ' OE1' ' A' ' 46' ' ' GLN . 7.9 tt -68.69 -41.57 79.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.21 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.2 m -86.43 -71.85 0.53 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.998 0.427 . . . . 0.0 110.753 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.545 ' ND2' ' H ' ' A' ' 40' ' ' SER . 21.8 t30 -175.71 -121.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.275 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.545 ' H ' ' ND2' ' A' ' 39' ' ' ASN . 60.3 p -99.66 5.01 45.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.693 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.0 137.71 94.75 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.528 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 88.6 Cg_endo -76.02 -58.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 123.086 2.524 . . . . 0.0 112.56 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 45' ' ' ASN . 67.8 mt -85.21 -88.23 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.41 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.655 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 9.8 tpt 54.38 -60.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.386 0.429 . . . . 0.0 110.175 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.779 ' N ' ' O ' ' A' ' 43' ' ' ILE . 11.2 p30 57.9 9.12 0.83 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.982 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' LEU . 60.4 mt-30 63.38 42.25 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 45' ' ' ASN . 12.0 mt -37.91 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.714 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -58.74 -56.68 19.06 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.7 mp -69.1 -41.01 78.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.272 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.35 -45.58 91.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.079 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 22.2 m170 -60.23 -48.89 79.8 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.456 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -61.1 -46.93 88.6 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.516 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.08 -53.05 62.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.91 -49.95 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.617 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 88.2 m-20 -58.11 -43.97 87.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 56' ' ' ARG . 39.2 ttp180 -61.35 -31.53 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.367 . . . . 0.0 110.79 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 60' ' ' MET . 4.2 m-70 -105.46 16.28 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.792 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.703 ' NH2' ' NZ ' ' A' ' 8' ' ' LYS . 13.2 ptm180 -54.24 -36.85 64.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -57.39 -27.03 61.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.678 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 11.5 ptm -57.03 -29.4 63.34 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.756 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.402 ' HA ' ' HE1' ' A' ' 64' ' ' TRP . 9.0 p -62.24 -28.52 69.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.888 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.96 -13.26 62.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.44 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 8.4 mttp -87.83 17.96 4.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.678 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -167.0 -45.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.148 178.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 tttm 69.05 -7.16 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.402 . . . . 0.0 110.231 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 64' ' ' TRP . 21.3 p -82.46 -156.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.238 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -133.0 -63.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.914 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.95 -37.43 82.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 111.411 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.488 ' HB2' ' HG ' ' A' ' 66' ' ' SER . 69.4 m-20 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.877 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 64' ' ' TRP . 63.2 mt -58.74 -42.46 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 48.3 mt -55.85 -43.2 76.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.696 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.594 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 71.1 m-70 -60.66 -46.43 90.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.287 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -61.66 -51.71 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.531 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD13 ' N ' ' A' ' 74' ' ' LEU . 10.7 mp -56.57 -35.4 68.13 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.761 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 70.0 m-20 -56.29 -49.2 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.097 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.594 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 23.5 mp0 -65.6 -37.42 86.58 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.549 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -70.02 -36.9 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.2 t-105 -57.75 -47.86 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.41 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 79' ' ' ASN . 1.6 m120 -69.63 -34.35 73.93 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.261 0.553 . . . . 0.0 109.989 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -81.92 -7.69 59.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.672 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 t0 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.314 179.848 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -48.27 142.44 16.68 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.732 2.288 . . . . 0.0 111.945 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.571 ' CG ' ' H ' ' A' ' 4' ' ' GLY . 5.6 tp -105.42 -125.81 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.89 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.571 ' H ' ' CG ' ' A' ' 3' ' ' LEU . . . 80.64 -176.2 54.7 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -86.35 -6.89 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.659 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.17 98.9 10.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.587 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 8' ' ' LYS . 51.6 t30 -163.54 109.51 1.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.505 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 7' ' ' ASN . 17.4 pttp -50.36 -174.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.007 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -75.1 141.49 43.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.032 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.7 p -84.59 162.28 19.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.501 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -54.16 -42.46 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.727 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -65.92 -45.83 80.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.498 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.57 -41.4 98.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 109.577 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 4.6 t-105 -63.6 -47.95 79.34 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.96 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.512 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 5.9 m120 -54.03 -39.33 66.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.958 0.408 . . . . 0.0 110.18 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -63.27 -43.15 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 67.0 tp -60.65 -38.16 83.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.684 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HD3' ' HD1' ' A' ' 51' ' ' HIS . 35.6 mttt -60.78 -45.33 94.79 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.663 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.512 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.5 mp0 -60.55 -44.04 96.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.916 0.388 . . . . 0.0 110.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.41 -42.35 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.53 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.475 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.1 m-30 -67.26 -47.98 69.09 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.22 -45.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 27' ' ' GLU . 27.4 t -55.2 -43.03 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . -59.6 -32.53 73.86 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 11.3 mm -73.45 -43.97 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.567 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -81.4 -34.22 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.917 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.0 mt-10 -76.25 -44.33 37.85 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.059 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 40.9 t30 -79.47 167.69 20.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -57.51 -24.43 55.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.237 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -54.62 -14.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.386 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' CA ' ' O ' ' A' ' 25' ' ' ILE . 15.2 pttp -54.05 -41.64 68.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.507 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 51.1 p30 -65.43 -34.93 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.697 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -65.92 -39.34 90.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -60.5 -41.13 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' HG12 ' A' ' 34' ' ' VAL . . . -61.65 -39.07 90.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.254 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -59.63 -42.36 92.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.19 -40.55 86.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.61 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.584 ' O ' ' C ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -123.74 106.65 10.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.199 -179.178 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.584 ' C ' ' O ' ' A' ' 38' ' ' THR . 61.4 t30 18.62 -114.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.671 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.2 m -131.23 34.82 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.342 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.656 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -58.84 142.87 83.93 Favored Pre-proline 0 C--N 1.331 -0.22 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.681 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -76.94 -102.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.713 2.276 . . . . 0.0 112.784 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 43' ' ' ILE . 97.4 mt -81.36 -7.62 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.856 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.5 tpt -46.63 -43.91 17.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.348 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 m120 49.52 28.83 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.572 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' LEU . 7.8 mt-30 65.35 42.13 4.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.796 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.1 mt -43.85 -55.89 4.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.115 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -59.3 -53.92 52.73 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 10.0 mp -67.65 -39.45 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.822 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 46' ' ' GLN . 5.3 tt -59.94 -45.87 91.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.851 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.696 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 56.2 m-70 -56.89 -48.66 77.67 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.576 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 10.5 mtmp? -60.91 -46.18 91.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.278 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -55.6 -51.28 67.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.515 0.674 . . . . 0.0 109.423 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.459 HD12 ' CE2' ' A' ' 21' ' ' PHE . 15.2 tp -57.29 -53.09 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.85 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -54.32 -44.77 72.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.117 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.415 ' C ' ' HD1' ' A' ' 57' ' ' HIS . 44.5 ttp180 -65.65 -31.64 72.76 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.918 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.573 ' O ' ' CG ' ' A' ' 60' ' ' MET . 1.8 m-70 -110.18 16.9 21.48 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.403 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.58 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.9 ptm180 -52.9 -34.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.41 -26.44 63.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.095 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.17 -30.28 62.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.958 -179.497 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.58 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 30.4 p -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.0 111.441 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -72.65 -13.1 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.657 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 48.4 mttp -86.45 18.96 2.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.04 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.994 178.548 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm 56.12 3.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.608 ' H ' ' C ' ' A' ' 64' ' ' TRP . 87.6 p -83.15 177.65 8.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -115.56 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.916 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.89 -39.9 91.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.404 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 42.4 m-20 -62.06 -43.94 97.76 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.28 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.606 ' CD1' ' O ' ' A' ' 66' ' ' SER . 34.0 mt -61.86 -41.51 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.45 -40.13 74.3 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.121 0.486 . . . . 0.0 110.362 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -61.23 -44.2 97.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.174 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.96 -52.25 65.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.347 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.2 mp -58.28 -37.82 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.218 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.84 -43.36 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.393 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -63.87 -40.97 97.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.498 HE21 ' HA ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -69.6 -38.06 77.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.291 0.567 . . . . 0.0 109.602 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -41.89 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.392 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -63.72 -41.71 98.03 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.28 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -82.06 -0.96 46.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.711 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.45 147.44 37.82 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.468 2.112 . . . . 0.0 111.857 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 3' ' ' LEU . 2.4 mm? -92.39 -72.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.514 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.56 127.28 0.89 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.779 -1.329 . . . . 0.0 109.779 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -56.17 113.68 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.175 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.0 ttp 179.77 -34.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -84.13 154.29 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HZ3' ' NH1' ' A' ' 58' ' ' ARG . 25.3 mmtp -50.63 163.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -77.26 144.19 38.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.294 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 p -85.46 163.04 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.34 -43.08 70.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.171 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -65.14 -45.01 86.8 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.055 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -65.55 -41.23 93.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.568 0.699 . . . . 0.0 109.534 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.538 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.6 t-105 -61.92 -46.11 90.77 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.004 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.525 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 97.5 m-20 -55.75 -38.93 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 110.802 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.6 -42.96 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD11 ' CE1' ' A' ' 21' ' ' PHE . 47.9 tp -60.89 -38.96 87.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.538 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.562 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 30.2 mttm -59.63 -45.4 92.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.525 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -62.05 -42.07 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.736 -179.533 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 88.9 m-20 -61.62 -46.07 91.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.634 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.446 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.6 m-30 -61.92 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.83 -50.25 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.111 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.3 t -56.68 -42.44 79.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.88 -34.96 85.17 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.465 HD12 ' CH2' ' A' ' 78' ' ' TRP . 89.9 mt -74.41 -30.69 26.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.281 . . . . 0.0 111.493 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.591 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.71 -25.67 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.899 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.43 -23.83 34.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.695 ' ND2' ' CG ' ' A' ' 30' ' ' GLN . 42.7 p-10 -105.32 173.7 6.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.398 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.47 -26.59 65.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.695 ' CG ' ' ND2' ' A' ' 28' ' ' ASN . 87.5 mm-40 -53.31 -19.37 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.13 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -49.45 -36.91 23.95 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -66.19 -42.87 88.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.719 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.2 mt -62.63 -28.96 70.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.594 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.477 HG11 ' N ' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -67.59 -47.25 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.251 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -58.9 -35.89 73.79 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.734 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -63.32 -47.0 84.03 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.741 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.42 HD12 ' NE2' ' A' ' 46' ' ' GLN . 5.7 tt -62.61 -36.73 83.7 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.532 ' O ' ' O ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -95.13 177.62 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.374 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.583 ' O ' ' OG ' ' A' ' 40' ' ' SER . 25.8 t30 -66.49 -63.58 1.04 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.305 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.583 ' OG ' ' O ' ' A' ' 39' ' ' ASN . 5.1 m -174.31 56.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.106 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -97.26 152.93 38.54 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.417 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -83.52 -97.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.475 2.117 . . . . 0.0 111.701 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.503 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 57.8 mt -69.92 -22.58 24.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.16 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 107.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.341 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 2.1 m120 -96.25 51.57 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.266 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.429 ' OE1' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 50.21 65.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.715 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.2 mt -47.98 -53.68 15.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.384 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.39 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.88 -42.64 80.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.404 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.27 -43.95 92.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.824 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.715 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 31.8 m-70 -58.52 -49.63 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.582 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -61.26 -48.37 81.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.748 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -56.89 -53.19 60.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.7 -51.74 66.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.24 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 83.9 m-20 -58.6 -40.32 82.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.065 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.95 -33.33 75.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.844 0.354 . . . . 0.0 111.269 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 60' ' ' MET . 83.5 m-70 -110.88 18.01 19.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 3.3 ptm180 -51.55 -34.82 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.44 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.9 p-10 -57.9 -29.2 64.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.404 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.687 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -60.8 -27.14 67.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.45 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.7 p -61.56 -28.61 69.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.527 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -74.82 -11.46 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.529 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtmt -84.28 20.87 1.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.256 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.687 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.78 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt 62.06 -0.37 0.47 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.559 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 97.2 p -89.46 161.28 16.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.189 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 20' ' ' ASP . 12.9 tttm -94.61 -62.93 1.24 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.46 -37.7 84.56 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -46.35 87.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 110.929 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.559 ' CD1' ' O ' ' A' ' 66' ' ' SER . 69.9 mt -59.72 -43.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.549 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.93 -40.14 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.187 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -60.33 -44.05 95.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HB3' ' HZ2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.83 -52.05 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.497 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 70' ' ' ILE . 6.2 mp -57.2 -40.53 77.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.811 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.62 -47.0 77.3 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -67.13 -40.56 86.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.5 -38.58 74.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.976 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.465 ' CH2' HD12 ' A' ' 25' ' ' ILE . 2.8 t-105 -54.51 -45.44 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.615 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.506 ' N ' HD21 ' A' ' 79' ' ' ASN . 1.7 m120 -63.11 -41.89 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -73.75 -28.45 61.69 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.526 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 49.8 t0 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 111.043 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -51.52 150.02 16.85 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.603 2.202 . . . . 0.0 111.835 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 4' ' ' GLY . 5.3 mp -65.54 147.6 53.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.911 0.386 . . . . 0.0 110.255 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.555 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . 29.14 -150.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -84.55 10.14 11.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.107 0.48 . . . . 0.0 110.043 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.414 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 12.2 mmt -45.56 116.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.353 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 6' ' ' MET . 1.7 m120 -175.76 166.89 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.243 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -78.94 -177.38 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.679 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -76.33 147.13 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.757 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.429 ' HG1' ' HB2' ' A' ' 13' ' ' GLU . 69.7 p -88.39 160.16 17.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.681 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.48 -41.17 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.624 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -64.74 -43.78 92.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 72.2 mt-10 -65.26 -41.51 94.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.898 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.503 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.6 t-105 -64.14 -46.39 84.31 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.551 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -57.43 -37.37 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 110.335 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 47.8 mt-30 -64.12 -44.6 91.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.209 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' CD1' ' CE1' ' A' ' 21' ' ' PHE . 34.6 tp -63.46 -37.01 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.327 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 21.8 mttm -59.06 -46.87 87.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.151 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -61.02 -44.2 97.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.481 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -59.8 -43.98 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.612 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.493 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.7 m-30 -68.04 -46.52 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.678 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.614 ' CG2' ' ND2' ' A' ' 45' ' ' ASN . 79.2 mt -57.24 -47.85 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 19' ' ' GLN . 19.1 m -55.64 -40.93 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.53 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -60.39 -32.16 76.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 21' ' ' PHE . 39.5 mm -75.62 -35.25 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -86.41 -32.36 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.696 -179.102 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.8 mt-10 -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.723 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.739 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 47.9 p-10 -99.35 175.11 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 111.74 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 31' ' ' LYS . 46.3 tt0 -63.24 -26.28 68.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.715 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.739 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 45.1 mt-30 -49.88 -11.32 0.06 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.989 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 29' ' ' GLU . 5.1 ttmm -51.61 -38.14 53.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.635 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -53.12 -31.31 41.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.92 -36.03 78.23 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.139 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.497 HG23 HE21 ' A' ' 46' ' ' GLN . 20.2 t -59.05 -44.58 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -65.43 -36.08 82.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.133 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -66.51 -46.53 75.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.011 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.74 -37.3 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.674 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 41' ' ' ASP . 84.0 m -99.03 -64.55 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.632 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.657 ' N ' ' O ' ' A' ' 35' ' ' ALA . 12.6 t-20 71.35 29.27 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.149 0.5 . . . . 0.0 110.102 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.04 -41.87 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.907 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.66 ' OD2' ' SD ' ' A' ' 44' ' ' MET . 3.4 m-20 -94.6 151.87 39.52 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.89 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.517 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 58.3 Cg_endo -72.86 -81.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.899 2.399 . . . . 0.0 111.619 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.748 ' O ' ' N ' ' A' ' 45' ' ' ASN . 56.8 mt -91.68 -69.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.92 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.71 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 25.7 ttt 26.12 -76.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.643 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.748 ' N ' ' O ' ' A' ' 43' ' ' ILE . 23.1 m-80 95.25 24.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.265 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.497 HE21 HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 51.91 55.48 9.22 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 mt -46.9 -51.02 17.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.775 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.55 -49.75 76.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.651 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.8 mm? -69.54 -41.42 75.96 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.152 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.54 -43.91 93.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.922 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -58.83 -47.69 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.482 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.2 -45.63 92.51 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -57.56 -55.38 35.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.8 tp -55.43 -50.21 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.58 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.19 -47.06 82.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 tpt85 -61.74 -31.53 71.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.769 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 60' ' ' MET . 95.2 m-70 -110.52 15.52 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.497 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.564 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.7 ptm180 -51.15 -36.26 39.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -55.69 -31.94 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.525 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.0 ptt? -58.23 -27.81 64.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.567 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.7 p -61.01 -27.19 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.542 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -71.66 -16.19 62.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 47.9 mttp -87.45 19.92 3.1 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.716 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.0 -49.38 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.092 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 62.02 4.07 1.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.652 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 37.0 p -89.54 163.43 15.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -92.93 -66.26 0.94 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -63.75 -38.67 91.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.54 ' HB3' ' HG ' ' A' ' 66' ' ' SER . 45.2 t0 -62.8 -45.13 94.08 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.117 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.652 ' CD1' ' O ' ' A' ' 66' ' ' SER . 56.4 mt -60.63 -43.76 95.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.157 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 67.5 mt -53.8 -40.25 66.17 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.949 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.429 ' O ' ' OE2' ' A' ' 76' ' ' GLU . 17.6 t-80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.154 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -63.32 -52.84 60.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.215 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.8 mp -57.13 -37.17 71.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.251 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.723 ' ND2' HE22 ' A' ' 30' ' ' GLN . 2.5 m120 -58.21 -47.71 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.357 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -65.87 -38.84 89.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.295 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.547 ' OE1' ' O ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -69.33 -40.15 77.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.024 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.558 ' O ' ' OD2' ' A' ' 81' ' ' ASP . 1.3 t-105 -55.46 -49.91 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.984 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -67.42 -41.08 85.43 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -86.8 5.14 38.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.825 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.558 ' OD2' ' O ' ' A' ' 78' ' ' TRP . 35.0 p30 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.227 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.45 ' N ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.876 -1.289 . . . . 0.0 109.876 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 1' ' ' GLY . 56.5 Cg_endo -74.1 -86.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.97 2.447 . . . . 0.0 113.01 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.4 tp -88.1 143.2 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.239 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.32 174.36 43.44 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 6' ' ' MET . 0.9 OUTLIER -68.1 -80.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.364 . . . . 0.0 110.525 179.614 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.411 ' N ' ' OG ' ' A' ' 5' ' ' SER . 63.0 mtt 62.73 11.2 4.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -101.88 123.55 45.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.109 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -91.52 169.5 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.184 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -77.68 144.2 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.393 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 p -88.33 160.08 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.141 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -53.75 -41.71 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.588 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 90.9 m-20 -66.13 -45.49 80.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.613 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.88 -39.82 94.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.406 0.622 . . . . 0.0 109.521 178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.9 t-105 -59.97 -46.09 90.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.589 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.523 ' N ' HD21 ' A' ' 15' ' ' ASN . 1.2 m120 -57.08 -37.7 72.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.586 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.6 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.91 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.215 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.79 -36.85 85.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.232 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 44.8 mttt -58.09 -42.77 86.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.0 -40.6 98.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.456 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB3' ' HZ3' ' A' ' 67' ' ' LYS . 77.2 m-20 -59.43 -44.83 92.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.909 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CE1' ' CD2' ' A' ' 74' ' ' LEU . 32.5 m-85 -65.28 -47.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.1 mt -58.39 -42.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -59.18 -46.08 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.537 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.37 -34.53 81.06 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.527 ' HA ' HD22 ' A' ' 28' ' ' ASN . 45.3 mm -71.63 -43.93 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.138 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.611 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.11 -28.1 60.11 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.551 -179.59 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -77.34 -38.53 50.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.235 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.542 HD21 ' C ' ' A' ' 28' ' ' ASN . 0.1 OUTLIER -92.56 150.62 20.63 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 121.268 0.556 . . . . 0.0 111.046 -179.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.567 ' C ' ' H ' ' A' ' 31' ' ' LYS . 77.9 tt0 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.186 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -48.0 -9.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.236 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.567 ' H ' ' C ' ' A' ' 29' ' ' GLU . 42.4 tttt -53.48 -32.36 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 75.2 m-20 -53.21 -37.36 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.515 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 81.9 mt -63.29 -36.94 85.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.033 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 38' ' ' THR . 1.0 OUTLIER -65.13 -41.1 90.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.194 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' N ' HG11 ' A' ' 34' ' ' VAL . . . -60.59 -39.05 86.66 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.151 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 38.4 mmtt -66.41 -42.58 87.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.653 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' C ' ' CD2' ' A' ' 37' ' ' LEU . 7.8 tt -57.05 -38.17 72.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.797 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -100.51 -76.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 -179.475 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.483 ' N ' ' OG1' ' A' ' 38' ' ' THR . 0.7 OUTLIER -175.41 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.693 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t 174.8 63.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.135 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.45 145.51 30.12 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.755 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.83 -91.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.887 2.391 . . . . 0.0 112.288 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.575 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 58.3 mt -106.18 -11.48 10.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.275 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 8.2 ttt -53.18 -32.63 48.88 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 110.295 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.58 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 2.5 p-10 46.23 37.4 3.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.58 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 15.6 pt20 49.81 58.09 5.82 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.314 0.578 . . . . 0.0 110.701 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.0 mt -45.33 -52.37 9.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.568 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.94 -49.25 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD11 ' H ' ' A' ' 49' ' ' LEU . 6.5 mp -65.57 -40.82 93.19 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.037 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.06 -44.62 91.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.61 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 64.6 m-70 -61.15 -48.54 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.09 -45.31 93.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.048 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -57.41 -52.67 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.317 0.579 . . . . 0.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 21' ' ' PHE . 13.5 tp -55.82 -51.95 65.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.283 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.03 -42.67 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.561 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -61.61 -32.44 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 111.58 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 60' ' ' MET . 47.8 m-70 -115.48 21.73 13.78 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.264 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.0 ptm180 -55.66 -35.77 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 60' ' ' MET . 25.6 p-10 -59.5 -26.76 65.56 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.738 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.3 ptt? -58.95 -28.11 65.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.384 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.5 p -59.45 -29.77 68.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.572 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.349 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 3.8 mtpm? -85.3 21.7 1.66 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.738 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.68 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 178.096 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 60.73 5.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.234 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.442 ' OG ' ' HB3' ' A' ' 69' ' ' ASP . 60.2 p -90.03 173.74 8.03 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' HZ3' ' HB3' ' A' ' 20' ' ' ASP . 19.2 tptt -101.4 -66.48 0.91 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 111.914 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 9.2 pt-20 -62.41 -41.83 98.98 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 68' ' ' GLU . 36.8 t0 -60.13 -45.76 91.94 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.666 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 64' ' ' TRP . 45.8 mt -58.75 -44.49 90.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.813 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.573 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 66.4 mt -57.08 -39.61 75.32 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.062 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.619 ' NE2' ' OE2' ' A' ' 76' ' ' GLU . 47.3 t-80 -60.35 -47.18 87.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.6 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.606 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.8 mptp? -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.774 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.521 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 6.6 mp -58.81 -35.38 72.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.573 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 18.1 m120 -55.59 -51.07 68.37 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.276 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.619 ' OE2' ' NE2' ' A' ' 72' ' ' HIS . 9.0 mp0 -67.32 -35.75 80.07 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.606 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 9.6 mp0 -72.89 -38.48 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.012 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -59.29 -45.13 92.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.228 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.515 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 1.7 m120 -63.39 -42.19 98.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -86.07 1.03 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.511 -179.771 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -52.92 148.86 28.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.779 2.319 . . . . 0.0 111.815 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 tp -67.0 -119.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.412 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 153.41 14.27 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -85.0 -1.96 57.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.345 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' ASN . 24.5 ptt? -61.41 -153.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.38 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' MET . 57.2 m-20 36.48 -150.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.334 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -81.79 -174.43 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.426 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -75.86 153.1 37.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.503 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.556 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 71.1 p -83.07 159.7 22.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.704 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -54.42 -40.65 68.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.251 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.9 -45.97 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.045 0.45 . . . . 0.0 110.253 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.556 ' H ' ' HG1' ' A' ' 10' ' ' THR . 97.2 mt-10 -66.6 -38.55 87.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.707 179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.479 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 2.2 t-105 -61.46 -47.54 85.24 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.008 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HA ' ' HZ1' ' A' ' 18' ' ' LYS . 85.7 m-20 -55.48 -40.94 72.31 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.085 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -64.22 -46.24 84.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.6 tp -63.66 -38.11 89.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.81 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HD2' ' ND1' ' A' ' 51' ' ' HIS . 8.6 mtmp? -61.51 -45.42 94.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.088 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -61.5 -40.84 96.05 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.728 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.49 -47.57 83.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.449 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 4.0 m-30 -61.47 -43.75 98.31 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.48 HG22 HD21 ' A' ' 45' ' ' ASN . 82.5 mt -57.56 -48.49 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.963 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 m -56.47 -43.76 79.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.416 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.35 -34.95 87.12 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.468 HD13 ' CZ3' ' A' ' 78' ' ' TRP . 29.1 mm -69.89 -42.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 111.037 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.92 -26.73 49.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -72.42 -32.89 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.642 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -91.38 153.81 19.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 111.437 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.67 -26.94 65.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 32' ' ' ASP . 96.5 mt-30 -56.56 -22.39 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.59 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 34' ' ' VAL . 50.4 pttt -39.97 -28.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.153 0.501 . . . . 0.0 110.592 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' GLN . 95.8 m-20 -58.42 -33.7 69.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.1 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OD1' ' A' ' 79' ' ' ASN . 64.8 mt -62.8 -43.98 97.38 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.158 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.4 p -70.97 -30.51 41.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.648 ' O ' ' N ' ' A' ' 40' ' ' SER . . . -61.01 -45.23 95.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.737 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -64.86 -40.41 95.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.011 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.636 ' CD1' ' OE1' ' A' ' 46' ' ' GLN . 8.4 tt -57.28 -36.56 71.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.462 ' HG1' ' HB2' ' A' ' 41' ' ' ASP . 74.3 p -102.98 26.22 8.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.63 60.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.423 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.648 ' N ' ' O ' ' A' ' 35' ' ' ALA . 2.9 p 44.94 69.98 0.38 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.629 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.462 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 12.3 t70 -102.32 132.05 21.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.716 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -43.29 -79.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.029 1.819 . . . . 0.0 112.183 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.788 ' O ' ' N ' ' A' ' 45' ' ' ASN . 64.3 mt -103.38 -89.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.451 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 16.9 tpt 45.91 -64.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.776 0.672 . . . . 0.0 111.716 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.788 ' N ' ' O ' ' A' ' 43' ' ' ILE . 79.7 m-20 61.17 22.52 12.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 0.0 110.213 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.636 ' OE1' ' CD1' ' A' ' 37' ' ' LEU . 20.6 mt-30 62.31 42.25 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.987 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.673 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 54.5 mt -31.75 -54.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.113 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.16 -58.81 6.41 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -64.62 -39.84 94.42 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.966 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 tt -58.23 -43.61 87.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 9.3 m-70 -57.57 -48.03 80.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.815 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -59.6 -46.38 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.513 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.572 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 56.3 t90 -58.53 -55.04 40.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.731 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.9 tp -55.4 -48.98 73.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.121 -178.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -56.04 -46.64 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.682 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.04 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.208 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 53' ' ' TRP . 29.8 m80 -104.51 9.4 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.358 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 54' ' ' LEU . 12.1 ptm180 -54.24 -36.69 63.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.954 0.407 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.97 -33.72 70.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.762 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.744 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.6 ppp? -57.84 -27.21 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.332 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 60' ' ' MET . 8.6 p -61.63 -27.79 68.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -71.98 -14.17 61.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 11.4 mttp -87.19 20.35 2.79 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.864 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.744 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.91 -53.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.13 178.542 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? 52.69 10.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.576 ' H ' ' C ' ' A' ' 64' ' ' TRP . 16.6 p -86.59 10.41 15.56 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.078 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.96 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' SER . 83.8 tt0 -57.52 -39.3 76.25 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.795 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.649 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -61.68 -41.19 97.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.572 HG12 ' CD1' ' A' ' 64' ' ' TRP . 33.9 mt -59.86 -44.03 93.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.451 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 mt -56.76 -41.47 77.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.111 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -62.38 -43.63 98.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.899 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.649 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 42.7 mmtm -62.98 -51.82 65.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 74' ' ' LEU . 8.1 mp -55.55 -42.37 74.56 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.493 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.52 -45.47 88.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.369 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.97 -40.62 96.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.091 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.459 ' H ' ' HG2' ' A' ' 77' ' ' GLN . 8.8 pt20 -76.57 -32.89 58.43 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.194 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.468 ' CZ3' HD13 ' A' ' 25' ' ' ILE . 1.8 t-105 -54.62 -44.32 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' OD1' ' CD1' ' A' ' 33' ' ' LEU . 71.8 m-20 -70.46 -41.48 72.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.496 ' NZ ' ' HB2' ' A' ' 80' ' ' LYS . 10.2 mtmp? -82.67 1.9 36.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.102 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.858 -179.561 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.75 152.05 81.31 Favored 'Trans proline' 0 C--N 1.303 -1.836 0 C-N-CA 123.133 2.556 . . . . 0.0 112.579 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.92 -29.25 69.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.43 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.62 -129.62 39.48 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -112.8 11.57 19.36 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.109 -0.237 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.602 ' O ' ' O ' ' A' ' 7' ' ' ASN . 19.4 mmt -45.89 -90.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.199 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.68 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 8.7 t-20 31.47 -163.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.634 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.68 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 29.8 mtpt -92.09 159.39 15.71 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.711 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.12 136.94 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.358 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.635 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 72.9 p -81.28 159.07 24.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.085 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.16 -40.2 70.38 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.094 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -64.21 -43.88 93.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.635 ' H ' ' HG1' ' A' ' 10' ' ' THR . 75.0 mm-40 -69.01 -37.5 78.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.324 0.583 . . . . 0.0 109.619 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.455 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -63.61 -47.32 81.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.348 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -54.4 -40.69 68.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.56 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -62.9 -42.46 99.78 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' HG ' ' CE2' ' A' ' 21' ' ' PHE . 25.2 tp -62.28 -37.79 86.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.352 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.539 ' HZ2' ' ND1' ' A' ' 51' ' ' HIS . 22.5 mttm -60.22 -45.24 93.87 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.519 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' SER . 94.0 mm-40 -60.24 -39.86 88.21 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.61 -43.56 80.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.641 ' CE1' ' CD2' ' A' ' 74' ' ' LEU . 30.3 m-85 -69.06 -53.4 20.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.017 0.437 . . . . 0.0 110.326 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 22' ' ' ILE . 67.5 mt -59.38 -38.36 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.98 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' GLN . 17.6 t -60.66 -49.43 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.051 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.59 -21.56 74.69 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.3 mm -73.56 -41.45 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.419 . . . . 0.0 110.71 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.541 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 1.5 pp -85.7 -24.77 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.89 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -74.55 -38.39 62.74 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.474 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.416 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 51.1 p30 -91.86 162.12 14.56 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.731 0.3 . . . . 0.0 110.973 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.551 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.5 tt0 -57.91 -27.4 63.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.996 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.689 HE22 ' CB ' ' A' ' 75' ' ' ASN . 43.2 mt-30 -51.49 -7.57 0.05 OUTLIER 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.836 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 29' ' ' GLU . 41.9 tttm -55.68 -37.74 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.353 0.596 . . . . 0.0 109.727 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 60.1 t0 -61.0 -36.32 79.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.703 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.422 HD13 HD22 ' A' ' 79' ' ' ASN . 26.2 mt -65.76 -46.09 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG21 ' NE2' ' A' ' 46' ' ' GLN . 2.7 p -64.81 -35.54 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.181 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 34' ' ' VAL . . . -58.56 -45.08 89.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -64.3 -35.85 82.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.172 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.45 -36.09 75.28 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -117.08 -88.95 0.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.603 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' THR . 31.5 m120 -160.25 -157.13 0.53 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.496 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -81.71 12.7 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.746 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -47.46 145.61 3.94 Favored Pre-proline 0 N--CA 1.448 -0.525 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.747 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.83 -99.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.301 -1.942 0 C-N-CA 122.852 2.368 . . . . 0.0 112.819 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.7 mt -83.95 -16.72 10.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.231 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.493 ' HE3' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -43.92 -54.11 5.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.127 -179.355 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.4 m120 47.88 38.85 9.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.61 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.661 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 58.52 44.76 17.38 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.495 0.664 . . . . 0.0 111.002 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 2.6 mt -43.75 -53.93 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.72 -51.44 69.78 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.13 -38.22 89.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.544 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -44.59 91.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.956 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 43.3 m-70 -59.19 -49.19 78.82 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.601 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -59.5 -46.83 87.71 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -58.0 -53.57 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.502 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.506 HD13 ' CD2' ' A' ' 21' ' ' PHE . 13.8 tp -58.23 -52.32 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.113 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -59.65 -43.54 93.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.077 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.754 HH21 ' HE2' ' A' ' 57' ' ' HIS . 58.8 ttp180 -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.754 ' HE2' HH21 ' A' ' 56' ' ' ARG . 94.8 m-70 -109.39 17.93 20.95 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.966 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.66 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.2 ptm180 -56.06 -33.31 64.9 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.733 ' OD1' ' N ' ' A' ' 60' ' ' MET . 35.9 p30 -56.31 -27.68 56.35 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.733 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 9.5 ptt? -59.58 -30.17 68.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.132 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.7 p -66.15 -31.06 71.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.742 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.53 -14.96 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -89.08 -75.22 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.217 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.608 ' O ' ' C ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -84.14 14.18 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.118 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.608 ' C ' ' O ' ' A' ' 64' ' ' TRP . 17.3 pttm -13.12 82.0 0.0 OUTLIER 'General case' 0 C--O 1.231 0.13 0 O-C-N 123.539 0.524 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 64' ' ' TRP . 16.4 p -153.66 177.89 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.453 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -107.73 -76.26 0.62 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -63.26 -35.26 79.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 110.512 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 80.9 m-20 -60.69 -46.49 90.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.377 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 66' ' ' SER . 29.8 mt -59.38 -38.44 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.803 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 34.0 mt -55.47 -41.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.033 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.72 -46.95 88.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.939 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 1.1 mptp? -62.76 -52.51 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.368 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.641 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 4.8 mp -57.98 -36.29 72.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.335 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.689 ' CB ' HE22 ' A' ' 30' ' ' GLN . 94.4 m-20 -56.91 -48.48 78.13 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.157 0.503 . . . . 0.0 110.026 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.24 -38.97 92.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.201 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.47 -41.65 79.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.598 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -54.83 -45.11 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.785 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.616 ' N ' HD21 ' A' ' 79' ' ' ASN . 1.6 m120 -70.93 -37.02 72.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -60.17 -43.62 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.385 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.601 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -70.27 0.93 5.29 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.655 2.237 . . . . 0.0 111.954 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.582 ' C ' ' CD1' ' A' ' 3' ' ' LEU . 2.1 pp -42.63 147.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.017 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.612 ' C ' ' H ' ' A' ' 6' ' ' MET . . . 167.01 104.1 0.17 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.13 7.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.85 -0.206 . . . . 0.0 111.227 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.612 ' H ' ' C ' ' A' ' 4' ' ' GLY . 4.9 mmt -78.5 11.24 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -76.73 127.56 33.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.863 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -95.35 -175.3 3.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.538 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -77.24 147.68 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.433 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 68.1 p -81.39 157.53 24.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.201 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -51.5 -42.26 61.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.826 0.346 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.741 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.1 m-20 -67.2 -48.13 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.141 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 98.7 mt-10 -64.82 -37.43 87.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 109.661 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.564 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 6.1 t-105 -62.16 -46.15 90.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.744 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 3.2 m120 -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.752 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.741 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.1 mp0 -64.45 -43.52 94.01 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.003 0.43 . . . . 0.0 109.926 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.52 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.8 tp -61.07 -39.74 91.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.583 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.1 mttt -59.57 -44.52 93.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.685 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 15' ' ' ASN . 94.3 mm-40 -61.72 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.468 ' HB3' ' HZ3' ' A' ' 67' ' ' LYS . 90.3 m-20 -61.49 -45.78 92.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.131 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.66 -45.12 94.25 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.197 0.523 . . . . 0.0 109.637 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.46 HG22 ' CB ' ' A' ' 45' ' ' ASN . 78.3 mt -57.5 -49.8 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' GLU . 8.1 t -54.46 -40.6 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.29 83.72 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.87 -34.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -89.48 -28.52 19.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.466 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 23' ' ' SER . 99.3 mt-10 -76.6 -37.17 56.88 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.739 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 38.3 t-20 -89.46 157.84 17.95 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.446 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 68.3 tt0 -58.81 -22.47 58.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 32' ' ' ASP . 64.3 mm-40 -52.13 -19.46 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.12 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -44.73 -21.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.52 ' HB3' ' HZ3' ' A' ' 36' ' ' LYS . 85.8 m-20 -59.21 -35.85 74.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.981 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 33' ' ' LEU . 8.0 mp -54.71 -54.13 45.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -63.49 -40.0 87.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.297 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.585 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -55.13 -40.84 70.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.036 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HZ3' ' HB3' ' A' ' 32' ' ' ASP . 41.4 mttp -68.1 -41.11 82.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.351 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.54 -49.61 46.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.145 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.585 ' O ' ' O ' ' A' ' 35' ' ' ALA . 1.6 p -110.62 143.57 40.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.005 178.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -103.4 -56.93 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.053 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 p -83.92 -2.35 56.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 0.0 110.726 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.83 75.59 79.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.343 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -83.74 -61.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.644 2.229 . . . . 0.0 112.298 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.428 HG21 HD12 ' A' ' 43' ' ' ILE . 72.5 mt -61.06 -18.06 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.677 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttp -56.71 -26.94 58.04 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.46 ' CB ' HG22 ' A' ' 22' ' ' ILE . 16.3 m120 56.18 23.66 7.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.364 -0.834 . . . . 0.0 112.082 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 66.99 38.03 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.3 mt -38.25 -61.18 0.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -58.26 -52.2 66.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -69.13 -41.62 77.11 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.309 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 5.0 tt -58.17 -44.65 88.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.464 ' CG ' ' HD3' ' A' ' 18' ' ' LYS . 17.6 m170 -59.4 -50.0 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.599 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -59.16 -45.91 89.76 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.425 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -57.63 -55.88 29.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 tp -54.59 -48.72 71.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.564 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 94.4 m-20 -56.42 -41.85 77.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.391 -179.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.777 HH21 ' HE2' ' A' ' 57' ' ' HIS . 54.0 ttp180 -62.45 -31.03 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.909 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.777 ' HE2' HH21 ' A' ' 56' ' ' ARG . 92.1 m-70 -109.96 22.65 15.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.626 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -55.08 -34.79 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.351 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.06 -29.61 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.334 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.2 ptt? -55.42 -34.87 64.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.362 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.626 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -63.65 -32.39 73.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 109.69 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -73.12 -21.43 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -74.91 -53.15 9.53 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.257 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.717 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -92.61 -59.55 2.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.339 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 64' ' ' TRP . 6.2 tttp 97.58 -27.41 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.787 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 33.1 p -86.75 130.79 34.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.821 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HZ3' ' HB3' ' A' ' 20' ' ' ASP . 79.3 tttt -59.87 -50.88 72.05 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -60.47 -43.27 97.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.86 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 55.6 t0 -60.49 -44.73 95.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.118 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 74' ' ' LEU . 47.7 mt -57.76 -46.77 86.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.753 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.455 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 71.7 mt -55.44 -42.55 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -59.9 -43.7 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.49 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 14.8 mmtm -63.88 -49.24 73.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 74' ' ' LEU . 3.8 mp -57.7 -42.67 84.19 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.465 HD21 ' N ' ' A' ' 75' ' ' ASN . 2.6 m120 -56.06 -49.29 74.16 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.257 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -67.91 -40.65 83.37 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ASP . 72.2 tp60 -72.64 -46.09 55.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.158 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.458 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.2 t90 -54.23 -43.39 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.409 ' OD1' ' CD2' ' A' ' 33' ' ' LEU . 96.6 m-20 -58.85 -46.23 88.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.063 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -85.74 0.16 53.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' GLN . 48.7 t0 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.107 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -56.7 151.49 47.13 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.687 2.258 . . . . 0.0 111.799 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 5' ' ' SER . 80.6 mt -59.63 -34.74 73.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.302 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 36.48 27.7 0.01 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' LEU . 22.7 m 34.06 38.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 110.792 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.8 OUTLIER -89.77 133.66 34.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.395 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -139.32 117.04 11.51 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.828 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.32 173.47 3.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.027 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -76.44 143.08 40.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -84.22 161.62 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 87.1 m-20 -52.37 -42.43 63.96 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.079 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.47 -47.7 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.3 -38.97 91.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 109.866 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.447 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.5 t-105 -61.28 -45.56 93.98 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.668 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.605 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.6 m120 -57.85 -38.65 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.278 0.561 . . . . 0.0 110.071 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -63.38 -43.59 97.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.285 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.28 -40.25 93.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.505 ' HZ2' ' HA ' ' A' ' 51' ' ' HIS . 26.5 mttm -57.74 -44.03 85.76 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.677 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 3.5 mp0 -63.82 -40.52 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.741 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.675 ' CB ' ' HZ1' ' A' ' 67' ' ' LYS . 51.4 m-20 -62.2 -42.88 99.7 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.815 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -64.12 -48.32 76.56 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 64.3 mt -58.77 -50.0 80.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.332 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -53.89 -42.89 69.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.117 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.12 -34.1 86.7 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.503 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 87.2 mt -75.4 -36.8 36.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.726 0.298 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.23 -26.6 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 110.17 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.576 ' OE1' ' O ' ' A' ' 27' ' ' GLU . 3.3 tm-20 -73.43 -38.34 65.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.712 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.503 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 53.7 p30 -94.54 171.28 8.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.605 0.717 . . . . 0.0 112.157 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -66.26 -21.83 66.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.065 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.492 ' CD ' ' ND2' ' A' ' 28' ' ' ASN . 78.0 mt-30 -52.06 -17.34 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.818 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 12.0 ttpt -49.25 -23.05 1.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.724 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.72 -34.13 73.93 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.406 HD13 ' H ' ' A' ' 33' ' ' LEU . 10.7 mp -51.78 -54.09 32.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.794 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.544 ' O ' ' OG1' ' A' ' 38' ' ' THR . 2.6 p -64.88 -34.8 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' N ' HG12 ' A' ' 34' ' ' VAL . . . -58.36 -56.91 15.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -60.82 -38.85 86.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.434 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tt -68.8 -48.85 62.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.295 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.583 ' OG1' ' O ' ' A' ' 41' ' ' ASP . 37.4 p -86.32 151.33 23.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.001 0.429 . . . . 0.0 110.986 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.44 -75.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.36 -179.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.6 m -87.11 1.66 52.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.848 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.583 ' O ' ' OG1' ' A' ' 38' ' ' THR . 0.0 OUTLIER -116.43 103.22 53.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.373 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -82.25 -77.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.419 2.079 . . . . 0.0 113.006 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 45' ' ' ASN . 65.5 mt -75.67 -6.31 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.96 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.501 ' C ' ' O ' ' A' ' 43' ' ' ILE . 4.1 ttt -36.94 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' A' ' 43' ' ' ILE . 16.8 m120 61.05 12.24 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.084 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 50' ' ' LEU . 20.5 mt-30 64.45 41.88 5.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 8.9 mt -50.76 -56.46 11.95 Favored 'General case' 0 N--CA 1.461 0.111 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -55.14 -48.3 73.88 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.668 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.665 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -68.46 -38.11 80.79 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.593 178.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' GLN . 8.0 mt -59.4 -46.58 88.28 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.234 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.505 ' HA ' ' HZ2' ' A' ' 18' ' ' LYS . 93.4 m-70 -57.55 -49.28 76.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -63.8 -52.92 58.04 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.614 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -59.97 -56.34 22.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 tp -56.9 -50.56 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.001 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 91.7 m-20 -57.35 -40.26 77.69 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.182 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.511 HH21 ' HE2' ' A' ' 57' ' ' HIS . 57.7 ttp180 -63.76 -31.83 73.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.406 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.511 ' HE2' HH21 ' A' ' 56' ' ' ARG . 63.3 m-70 -112.68 20.82 16.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.192 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.659 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.8 ptm180 -53.82 -34.46 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.707 ' OD1' ' N ' ' A' ' 60' ' ' MET . 28.0 p30 -60.33 -28.65 68.31 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.213 0.53 . . . . 0.0 111.074 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.799 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 2.1 ptt? -55.12 -35.92 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.47 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.3 p -61.82 -34.56 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.996 0.426 . . . . 0.0 110.757 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 76.9 mm-40 -76.01 -18.33 59.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -76.74 -55.25 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.967 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.799 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -83.65 -42.0 17.16 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.141 179.445 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.5 tttm 64.99 41.36 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.942 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' ILE . 11.0 p -150.77 122.82 8.22 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.916 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.675 ' HZ1' ' CB ' ' A' ' 20' ' ' ASP . 32.8 tttp -58.92 -60.26 4.14 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -61.94 -38.14 87.34 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -177.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -63.85 -43.1 97.15 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.195 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.553 HG12 ' CD1' ' A' ' 64' ' ' TRP . 92.7 mt -60.55 -41.73 88.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.952 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.6 mt -58.12 -40.64 81.76 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.303 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -57.51 -44.56 85.12 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.205 0.526 . . . . 0.0 109.784 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.1 mmtt -62.11 -47.26 85.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.969 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 7.0 mp -57.94 -40.88 81.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -56.13 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.878 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -66.6 -40.42 88.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.121 0.486 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.739 ' O ' ' N ' ' A' ' 81' ' ' ASP . 97.8 mt-30 -70.58 -38.41 74.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.269 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.442 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 2.0 t-105 -57.11 -43.75 82.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.1 -37.76 88.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -98.42 -7.15 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.376 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 77' ' ' GLN . 17.0 t0 . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.276 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' H2 ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.408 ' HD2' ' H2 ' ' A' ' 1' ' ' GLY . 36.6 Cg_endo -69.11 147.42 67.03 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.872 2.381 . . . . 0.0 112.036 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' HB3' ' H ' ' A' ' 4' ' ' GLY . 40.8 mt 62.17 -155.04 0.35 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 6' ' ' MET . . . 70.82 33.67 66.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.21 4.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.378 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.508 ' H ' ' C ' ' A' ' 4' ' ' GLY . 3.1 mtp -87.83 -13.2 42.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.152 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.502 ' C ' ' OD1' ' A' ' 7' ' ' ASN . 33.3 p-10 -83.53 179.1 7.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.767 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.608 ' HZ3' ' CD ' ' A' ' 58' ' ' ARG . 13.7 mtpt -80.9 -175.67 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.166 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -76.75 150.8 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 111.841 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.557 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 74.0 p -83.47 161.14 21.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.724 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -56.23 -43.53 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.611 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.5 m-20 -63.35 -46.27 87.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.164 0.507 . . . . 0.0 110.464 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.557 ' H ' ' HG1' ' A' ' 10' ' ' THR . 99.8 mt-10 -64.02 -40.83 97.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.594 0.712 . . . . 0.0 109.453 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.48 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -62.16 -45.87 91.49 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.598 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.572 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 2.6 m120 -55.29 -37.52 67.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.218 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.611 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 6.2 mp0 -64.61 -42.08 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.539 ' CD1' ' CE1' ' A' ' 21' ' ' PHE . 45.8 tp -62.36 -37.4 85.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.289 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 30.6 mttt -61.49 -48.13 82.49 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.572 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.4 mp0 -59.95 -43.75 94.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.914 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -60.99 -44.27 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.539 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.5 m-30 -65.98 -47.31 74.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.158 0.504 . . . . 0.0 109.8 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.463 HD13 ' NE2' ' A' ' 19' ' ' GLN . 73.3 mt -57.33 -49.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 47.4 t -58.26 -44.08 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.729 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.26 90.12 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.577 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 24.2 mm -70.37 -37.6 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.586 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.77 -26.47 49.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.516 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 23' ' ' SER . 75.5 mm-40 -78.02 -42.94 30.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.215 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.577 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 55.8 p30 -77.46 170.25 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.652 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.14 -29.0 70.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.458 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.643 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -50.81 -15.96 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.389 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 2.9 pttm -53.65 -40.55 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.032 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 55.7 p30 -66.65 -34.26 77.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.681 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 7.9 tt -63.11 -42.18 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.631 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -19.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.001 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -58.69 -37.35 75.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.758 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.661 ' NZ ' ' O ' ' A' ' 32' ' ' ASP . 3.1 mptt -65.12 -43.83 90.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.488 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.72 -39.28 87.93 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.2 t -115.24 13.01 16.62 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.253 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.665 ' N ' ' O ' ' A' ' 35' ' ' ALA . 29.9 t30 59.26 -147.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.573 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 6.7 p -72.9 156.48 38.82 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 40' ' ' SER . 1.8 m-20 154.29 148.47 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.085 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.14 -92.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.365 2.043 . . . . 0.0 112.076 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.493 HG21 HD13 ' A' ' 43' ' ' ILE . 6.2 pt -93.94 -14.68 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.016 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.446 ' HE1' ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -69.72 91.37 0.62 Allowed 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.549 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 75.5 m-20 -121.35 79.94 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.38 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 10.6 pt20 47.31 58.32 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.386 0.612 . . . . 0.0 109.753 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' H ' ' HE1' ' A' ' 44' ' ' MET . 77.1 mt -54.35 -46.45 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.29 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.34 -50.72 72.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.791 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' HB2' HE21 ' A' ' 46' ' ' GLN . 5.8 mp -68.52 -40.16 80.9 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.986 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 4.5 tt -58.24 -44.82 88.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.527 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.501 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 30.4 m170 -59.93 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.269 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -61.67 -48.04 82.63 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.041 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -56.72 -52.93 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 tp -56.98 -52.7 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.08 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -55.88 -41.26 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.171 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.77 ' NH2' ' HE2' ' A' ' 57' ' ' HIS . 55.8 ttp85 -60.31 -33.41 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.296 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.77 ' HE2' ' NH2' ' A' ' 56' ' ' ARG . 83.4 m-70 -114.84 21.24 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.473 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' CD ' ' HZ3' ' A' ' 8' ' ' LYS . 13.5 ptm180 -53.31 -34.43 57.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.093 0.473 . . . . 0.0 110.454 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.66 -29.14 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.722 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 5.3 ptt? -59.91 -27.36 66.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.237 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 15.7 p -62.09 -28.58 69.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.81 -11.79 60.49 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.486 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 5.2 mtpm? -85.86 18.45 2.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.722 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.52 -45.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.358 178.659 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt 70.9 -19.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.51 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.564 ' H ' ' C ' ' A' ' 64' ' ' TRP . 97.4 p -89.07 138.41 31.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 47.2 tttm -66.07 -51.49 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.256 -0.884 . . . . 0.0 113.214 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -60.1 -37.82 81.12 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.927 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' CG ' ' HG ' ' A' ' 66' ' ' SER . 81.1 m-20 -64.31 -47.46 79.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.774 -0.77 . . . . 0.0 109.743 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.492 HG12 ' CD1' ' A' ' 64' ' ' TRP . 88.2 mt -59.82 -43.57 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.361 -0.535 . . . . 0.0 110.871 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 73.1 mt -53.81 -42.23 68.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.51 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 7.0 mptt -64.4 -50.88 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.6 mp -57.28 -39.6 76.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.747 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -58.01 -47.09 84.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.07 -41.72 97.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.621 ' O ' ' N ' ' A' ' 81' ' ' ASP . 76.8 mt-30 -68.77 -43.2 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -45.13 77.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.219 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 79' ' ' ASN . 2.0 m120 -66.4 -42.76 87.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 81' ' ' ASP . 67.9 mttt -89.17 -4.8 58.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.531 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 77' ' ' GLN . 41.8 p30 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.71 -32.11 89.96 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.251 1.967 . . . . 0.0 110.705 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.94 129.85 45.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.738 178.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.63 -179.94 45.55 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -84.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.906 0.384 . . . . 0.0 111.113 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 50.2 mtt 59.92 27.53 16.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.64 -179.181 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -57.0 134.74 56.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.489 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -80.04 164.15 23.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.743 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -75.38 151.82 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 111.419 -179.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.457 ' HG1' ' HB2' ' A' ' 13' ' ' GLU . 58.2 p -87.53 160.42 18.24 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.173 179.511 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.02 -42.44 72.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.202 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.6 -47.16 82.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 110.599 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 77.2 mm-40 -65.49 -39.24 91.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.027 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.433 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 7.5 t-105 -62.48 -43.8 97.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.741 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -55.43 -43.73 75.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.798 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 50.2 mt-30 -60.1 -39.76 87.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.677 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.428 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 31.1 tp -65.6 -39.28 91.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.821 178.525 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 30.3 mttt -58.27 -42.11 85.77 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 179.468 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -61.26 -38.44 86.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.1 -46.34 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.103 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' A' ' 54' ' ' LEU . 37.4 m-85 -64.07 -46.56 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.879 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.517 ' CG2' HD21 ' A' ' 45' ' ' ASN . 94.9 mt -57.62 -50.93 75.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 m -56.76 -38.54 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.188 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.46 -35.49 66.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.428 HD13 HE21 ' A' ' 30' ' ' GLN . 8.7 mm -71.62 -41.09 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.372 -0.414 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.608 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -77.04 -28.1 54.67 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.22 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -79.23 -33.51 43.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.661 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 56.1 t-20 -100.13 156.68 17.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.454 0.645 . . . . 0.0 111.534 -179.084 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.661 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 22.4 tp10 -55.2 -21.18 12.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.555 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.428 HE21 HD13 ' A' ' 25' ' ' ILE . 27.6 mt-30 -48.41 -11.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 29' ' ' GLU . 16.8 pttp -56.78 -34.35 67.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.507 . . . . 0.0 110.186 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.16 -42.93 99.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.391 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.9 -37.06 83.66 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.258 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 35' ' ' ALA . 0.3 OUTLIER -65.01 -38.0 81.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.111 -179.823 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' N ' HG12 ' A' ' 34' ' ' VAL . . . -63.77 -39.68 94.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -58.15 -42.53 86.12 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.443 -0.503 . . . . 0.0 109.674 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 10.4 tt -71.83 -47.36 53.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.491 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' ALA . 93.4 m -117.11 125.95 52.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.139 179.415 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -96.62 164.37 12.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.077 0.465 . . . . 0.0 111.671 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 t 55.02 22.26 4.3 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.502 178.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -137.47 73.69 48.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.29 -35.01 99.15 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.292 1.995 . . . . 0.0 111.956 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 42.7 mt -99.57 -72.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.696 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.429 ' HE1' ' H ' ' A' ' 47' ' ' LEU . 1.4 ttp -40.35 104.84 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.517 HD21 ' CG2' ' A' ' 22' ' ' ILE . 45.8 m-80 -91.97 59.77 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.136 -178.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.506 ' OE1' ' CD2' ' A' ' 37' ' ' LEU . 19.0 pt20 46.84 65.7 1.16 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.674 0.75 . . . . 0.0 110.148 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 15.2 mt -53.58 -47.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.795 -179.422 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -58.78 -47.36 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.527 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' HB2' HE21 ' A' ' 46' ' ' GLN . 57.9 mt -69.42 -42.87 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -44.33 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.044 -179.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 11.9 m170 -59.23 -48.89 79.92 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -59.95 -45.85 91.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.414 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 43.0 t90 -57.79 -57.49 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 110.641 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 21' ' ' PHE . 9.2 tp -56.85 -50.91 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.091 -178.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -55.65 -41.87 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.02 -31.2 71.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.575 ' O ' ' SD ' ' A' ' 60' ' ' MET . 97.7 m-70 -116.59 18.99 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.749 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 ptm180 -55.02 -34.64 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.574 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 59.0 t0 -55.61 -26.13 42.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 111.113 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.731 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.8 ptt? -60.39 -32.68 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 62' ' ' GLU . 14.6 p -59.52 -30.24 68.44 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 110.091 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.8 mt-10 -74.94 -13.47 60.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.296 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -85.95 -62.0 1.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.731 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -82.45 -46.63 13.23 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.89 -179.052 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp 67.09 -14.69 0.17 Allowed 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.341 0.4 . . . . 0.0 111.528 -178.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 64' ' ' TRP . 34.5 p -92.39 136.29 33.32 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.752 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -65.76 -56.16 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.13 -36.29 77.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.673 -178.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 52.9 t0 -64.7 -50.91 65.09 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.695 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.503 HG12 ' CD1' ' A' ' 64' ' ' TRP . 25.2 mt -59.23 -43.41 89.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.523 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.12 -40.75 74.21 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.675 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -61.71 -45.69 92.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 18.1 mmmt -61.68 -50.75 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.721 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.465 HD21 ' CE1' ' A' ' 21' ' ' PHE . 6.0 mp -58.65 -38.93 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.582 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.409 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 79.1 m-20 -55.47 -47.13 76.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.43 -40.82 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.66 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.626 HE21 ' NZ ' ' A' ' 80' ' ' LYS . 1.2 tp60 -68.61 -44.0 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.552 -179.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.12 -42.39 85.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.239 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -68.08 -30.9 70.19 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.156 0.503 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.626 ' NZ ' HE21 ' A' ' 77' ' ' GLN . 13.8 ttpt -91.9 -6.97 50.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.087 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' GLN . 79.3 m-20 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.584 -179.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.48 142.54 23.1 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.574 2.183 . . . . 0.0 111.591 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.4 mt -84.57 139.93 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.098 0.475 . . . . 0.0 110.963 -179.267 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.612 ' O ' ' ND2' ' A' ' 7' ' ' ASN . . . 162.0 154.21 7.43 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -70.05 -1.21 9.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.525 -0.47 . . . . 0.0 109.733 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.37 -1.31 57.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.592 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.612 ' ND2' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -98.03 160.1 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.042 0.449 . . . . 0.0 111.345 -179.464 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -78.59 165.13 24.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.811 179.349 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -76.4 149.13 36.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.439 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -80.21 157.2 26.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.406 -178.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -53.36 -43.04 67.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.008 -179.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.64 -45.89 88.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.49 -37.63 85.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.171 179.31 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.592 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 8.1 t-105 -62.33 -45.9 91.13 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.384 179.567 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.592 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 80.2 m-20 -56.66 -39.56 73.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.192 0.52 . . . . 0.0 110.209 179.317 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.592 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 54.1 tp -60.8 -40.56 93.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.651 179.172 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.808 ' HZ3' ' CG ' ' A' ' 51' ' ' HIS . 27.9 mttt -58.67 -44.18 90.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 110.429 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.592 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -61.97 -41.78 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.511 -179.619 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -58.9 -42.44 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.02 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.442 ' CE1' HD23 ' A' ' 71' ' ' LEU . 4.9 m-30 -66.26 -45.43 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.93 -48.94 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' GLU . 8.4 t -57.13 -43.09 82.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.435 179.261 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -37.18 92.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mm -71.03 -44.52 75.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.208 -0.294 . . . . 0.0 110.208 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.567 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -71.19 -30.18 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.049 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' SER . 50.7 tp10 -76.25 -25.2 54.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.119 178.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -103.93 166.79 10.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.81 -26.93 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.03 178.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -53.21 -15.35 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -34.28 66.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -66.67 -42.26 86.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.753 ' CD2' HD21 ' A' ' 79' ' ' ASN . 9.3 mp -61.41 -36.76 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.248 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -62.35 -45.71 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.693 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -63.46 -44.87 93.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.839 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.7 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 16.7 mtpp -61.99 -40.61 96.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.875 179.454 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -52.26 -44.71 65.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.315 179.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 40' ' ' SER . 9.7 t -107.33 -0.05 22.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.01 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.7 ' ND2' ' O ' ' A' ' 36' ' ' LYS . 6.0 m120 51.31 32.2 8.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.592 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.512 ' O ' ' C ' ' A' ' 41' ' ' ASP . 70.7 p -179.17 -116.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.34 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' A' ' 40' ' ' SER . 36.8 m-20 -28.82 97.53 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.704 -179.654 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.536 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 88.2 Cg_endo -85.62 -61.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.749 2.3 . . . . 0.0 112.0 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.678 ' C ' HD21 ' A' ' 45' ' ' ASN . 12.3 mm -52.52 -35.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.538 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.421 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 13.3 ttt -54.77 -31.12 58.31 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.002 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.678 HD21 ' C ' ' A' ' 43' ' ' ILE . 1.0 OUTLIER 50.44 33.39 7.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.357 179.673 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 4.2 pt20 46.74 58.28 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.767 0.794 . . . . 0.0 109.053 -178.605 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.699 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 5.7 mt -43.12 -53.95 4.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.796 -178.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.58 -51.17 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.539 ' HB2' HE21 ' A' ' 46' ' ' GLN . 3.5 mt -65.97 -41.32 91.33 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.828 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -58.59 -44.09 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.771 -179.294 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.808 ' CG ' ' HZ3' ' A' ' 18' ' ' LYS . 18.6 m170 -58.23 -47.95 81.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.227 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -60.29 -47.84 84.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.01 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -60.07 -52.33 65.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.307 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 21' ' ' PHE . 22.6 tp -56.73 -51.25 69.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 70.2 m-20 -55.16 -42.93 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.401 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -61.86 -28.52 69.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.468 -179.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 60' ' ' MET . 98.6 m-70 -104.19 15.9 27.39 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.786 0.327 . . . . 0.0 111.658 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.708 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.0 ptm180 -59.89 -35.82 75.65 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.201 -179.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.49 -50.67 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.802 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.752 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.1 ptm -62.97 -31.73 72.91 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.327 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.708 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.9 p -64.75 -27.89 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.443 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.18 -20.4 64.86 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 60' ' ' MET . 2.3 pttt -81.05 -66.28 0.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.785 -178.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.752 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -69.28 -32.69 72.02 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.289 -178.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp 47.06 -1.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.651 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.717 ' H ' ' C ' ' A' ' 64' ' ' TRP . 8.8 p -86.52 131.74 34.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.728 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' HD21 ' A' ' 71' ' ' LEU . 34.3 tttm -63.25 -47.68 81.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.373 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -63.18 -41.56 99.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.941 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.574 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 69.8 m-20 -62.94 -52.03 64.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.49 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 71.5 mt -62.36 -45.12 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -179.129 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.565 ' N ' HD21 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -57.13 -40.35 76.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.143 -179.572 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.614 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 78.2 t60 -61.51 -45.43 94.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.657 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 3.2 mptt -61.11 -47.97 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.717 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 70' ' ' ILE . 8.1 mp -56.6 -46.25 80.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.279 179.761 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.513 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 1.9 m120 -54.21 -47.07 72.53 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.661 -178.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.614 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.6 mp0 -70.4 -38.52 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -69.66 -41.91 74.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.421 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.5 t-105 -55.42 -40.24 71.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.294 178.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.753 HD21 ' CD2' ' A' ' 33' ' ' LEU . 24.3 m120 -68.02 -44.42 76.52 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 179.469 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -60.89 -30.04 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.188 179.562 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' O ' ' SD ' ' A' ' 6' ' ' MET . 46.3 Cg_endo -72.14 -7.87 21.79 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.89 1.727 . . . . 0.0 111.789 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.624 ' O ' ' O ' ' A' ' 4' ' ' GLY . 81.4 mt -91.14 -5.54 54.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.501 179.516 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.624 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . -26.29 -107.92 0.0 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.945 -179.649 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -78.61 7.14 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.09 0.472 . . . . 0.0 110.298 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.462 ' SD ' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -99.92 -0.88 38.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.287 179.135 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 3' ' ' LEU . 51.8 p-10 -63.21 142.43 58.39 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.174 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -73.4 167.52 21.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.972 -178.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -77.96 142.8 38.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.116 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' TRP . 76.1 p -84.04 160.48 20.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.822 -179.506 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -51.13 -43.39 61.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.053 -179.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 77.3 m-20 -68.06 -45.04 74.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' HB2' ' HG1' ' A' ' 10' ' ' THR . 75.9 mm-40 -66.08 -38.12 87.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.462 0.649 . . . . 0.0 109.28 178.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.491 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.1 t-105 -63.63 -48.01 79.01 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.646 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 94.1 m-20 -55.92 -41.74 75.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -60.89 -42.42 97.95 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.75 -40.49 83.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.299 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HD3' ' HD1' ' A' ' 51' ' ' HIS . 21.4 mttm -60.39 -45.09 94.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.646 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -58.65 -43.82 89.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.067 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.09 -42.79 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.4 -50.22 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 109.443 179.319 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.5 mt -58.61 -47.46 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.617 179.035 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' GLU . 22.9 t -56.46 -44.51 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.202 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.01 -31.95 79.41 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.952 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.538 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 62.8 mt -73.71 -26.97 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.284 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.606 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -90.14 -27.21 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.213 178.483 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' SER . 45.3 tp10 -74.72 -46.28 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.765 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.33 162.44 22.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.959 0.409 . . . . 0.0 111.249 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.36 -17.89 23.57 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.897 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.783 HE22 ' ND2' ' A' ' 75' ' ' ASN . 92.9 mt-30 -57.43 -18.67 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.932 -178.667 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 25' ' ' ILE . 4.0 pttt -52.8 -28.55 23.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.461 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -53.69 -33.08 54.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 111.546 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.495 HD21 ' HZ2' ' A' ' 36' ' ' LYS . 78.3 mt -55.18 -38.84 68.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.852 -179.506 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 35' ' ' ALA . 1.7 p -57.85 -40.32 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -64.51 -39.19 93.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HZ2' HD21 ' A' ' 33' ' ' LEU . 74.6 mttt -63.5 -40.59 97.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.062 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.58 ' CD1' ' OE1' ' A' ' 46' ' ' GLN . 8.6 tt -78.33 -53.25 7.5 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.601 ' O ' ' C ' ' A' ' 39' ' ' ASN . 3.0 m -110.17 120.31 42.05 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.919 -178.701 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.601 ' C ' ' O ' ' A' ' 38' ' ' THR . 5.0 m120 13.65 -122.69 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.832 179.297 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.6 p -125.37 46.95 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.07 145.45 53.01 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.01 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 63.2 Cg_endo -81.85 -81.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.7 2.267 . . . . 0.0 114.415 -179.241 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.441 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 36.4 pt -89.85 0.74 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 46' ' ' GLN . 13.2 tpt -43.53 -38.54 2.97 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.202 -179.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.633 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.8 OUTLIER 45.23 16.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.295 -179.332 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.58 ' OE1' ' CD1' ' A' ' 37' ' ' LEU . 45.6 mt-30 59.7 51.36 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.607 179.518 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.705 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 36.8 mt -39.47 -56.02 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -58.42 -51.6 69.15 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.6 -36.04 75.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.658 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -46.41 90.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.566 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.705 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 81.7 m-70 -57.9 -48.99 78.25 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.784 0.326 . . . . 0.0 110.616 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.24 -50.25 72.49 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -57.26 -54.17 49.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.214 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.47 -51.33 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.587 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 59.6 m-20 -56.46 -39.27 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.635 -179.211 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -67.04 -32.11 73.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 -179.677 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.479 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 24.5 m-70 -110.47 18.54 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.365 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.559 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.2 ptm180 -54.73 -34.37 62.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.25 179.496 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.65 -36.25 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.694 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.7 ptt? -55.6 -28.51 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.103 -179.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.9 p -60.99 -27.25 68.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.428 -179.506 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.01 -13.18 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.4 mmtt -86.49 17.3 3.9 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.694 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.11 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.208 179.201 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 51.39 14.43 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.313 -178.292 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 64' ' ' TRP . 55.2 p -89.95 -161.81 0.82 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.426 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HZ2' HD13 ' A' ' 71' ' ' LEU . 13.4 tttp -132.42 -65.14 0.74 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.616 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.9 -38.67 86.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.623 -178.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 77.0 m-20 -63.62 -44.68 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.995 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.5 mt -58.34 -40.41 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.778 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.489 HD13 ' HZ2' ' A' ' 67' ' ' LYS . 89.1 mt -56.94 -42.27 79.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.758 179.256 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.81 -43.1 98.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 110.149 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -63.21 -53.38 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 -179.551 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.15 -38.58 73.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.606 -179.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.783 ' ND2' HE22 ' A' ' 30' ' ' GLN . 74.1 m-20 -57.84 -46.17 85.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.217 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -64.45 -40.63 96.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.994 179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.607 ' O ' ' N ' ' A' ' 81' ' ' ASP . 99.3 mm-40 -72.64 -38.83 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.874 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.538 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 3.0 t-105 -53.94 -47.13 71.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.875 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -69.5 -34.59 74.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.992 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -84.97 -7.88 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.936 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 77' ' ' GLN . 88.3 m-20 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.637 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -57.48 16.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.829 2.353 . . . . 0.0 112.738 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.637 ' H ' ' C ' ' A' ' 1' ' ' GLY . 10.8 mp -65.12 -14.04 59.57 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.172 179.238 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -44.52 -19.55 0.15 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.098 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 12.0 m 111.81 -0.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.216 0.598 . . . . 0.0 110.848 179.366 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.74 -36.84 82.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.205 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -72.42 -159.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.078 0.466 . . . . 0.0 111.82 -178.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HD3' HH12 ' A' ' 58' ' ' ARG . 10.7 mttp -76.16 171.73 14.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.894 -178.546 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -80.1 144.11 33.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.239 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.435 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 75.3 p -84.27 158.54 21.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.438 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.25 -42.2 69.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.054 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -65.72 -42.54 90.95 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.949 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' H ' ' HG1' ' A' ' 10' ' ' THR . 67.3 mm-40 -66.79 -38.07 85.81 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.483 178.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.405 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 t-105 -62.75 -48.11 80.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.068 -179.737 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -57.93 -38.79 76.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.062 0.458 . . . . 0.0 110.207 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 53.7 mt-30 -63.07 -43.69 97.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.3 tp -62.96 -36.51 83.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.408 178.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.654 ' HZ3' ' CG ' ' A' ' 51' ' ' HIS . 25.9 mttt -58.94 -44.64 91.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.467 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -62.87 -42.47 99.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.92 -179.596 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.13 -41.08 82.87 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.439 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 74' ' ' LEU . 25.8 m-85 -65.38 -46.82 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.122 0.487 . . . . 0.0 109.791 178.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.434 HD11 ' NE2' ' A' ' 19' ' ' GLN . 97.7 mt -58.28 -39.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.7 m -59.01 -46.86 87.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.385 179.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.569 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . -65.84 -26.07 72.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' CG2' HG13 ' A' ' 34' ' ' VAL . 4.2 mm -72.56 -39.37 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.582 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.7 -24.99 23.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.77 -179.866 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -71.38 -37.4 71.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.587 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.697 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.4 p-10 -105.68 175.87 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -59.68 -26.47 65.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.911 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.697 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 35.2 mt-30 -49.96 -16.07 0.25 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.157 -179.625 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.711 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 1.3 pttm -56.38 -33.24 65.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.711 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 96.2 m-20 -68.8 -35.19 76.7 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.195 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 27.4 mt -63.65 -41.53 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.466 -179.764 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG2' HE21 ' A' ' 46' ' ' GLN . 4.1 p -70.91 -36.65 64.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.792 178.85 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' N ' HG11 ' A' ' 34' ' ' VAL . . . -60.15 -42.74 95.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.997 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -63.48 -43.31 97.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.117 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 6.4 tt -64.23 -37.29 86.94 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.059 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 40' ' ' SER . 9.3 t -100.44 33.37 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.067 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m120 53.4 -78.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.915 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.7 p -160.48 38.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.138 -179.784 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.602 ' O ' ' O ' ' A' ' 42' ' ' PRO . 1.5 m-20 -75.32 147.3 82.48 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.481 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.602 ' O ' ' O ' ' A' ' 41' ' ' ASP . 75.0 Cg_exo -46.27 -127.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.925 2.417 . . . . 0.0 112.617 179.614 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.3 mt -88.69 16.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.479 ' HE1' ' N ' ' A' ' 47' ' ' LEU . 11.4 tpt -46.49 -33.52 4.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.516 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.476 ' CG ' ' O ' ' A' ' 44' ' ' MET . 0.6 OUTLIER 44.56 21.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.109 178.722 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 50' ' ' LEU . 49.8 mt-30 63.9 42.34 6.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.754 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.628 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 17.7 mt -44.7 -51.49 9.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.461 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -61.02 -57.36 12.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.658 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -67.34 -42.16 84.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.719 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 46' ' ' GLN . 1.6 tt -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.654 ' CG ' ' HZ3' ' A' ' 18' ' ' LYS . 32.8 m170 -57.68 -50.32 73.57 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.13 -48.3 82.3 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.495 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.69 -53.4 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.342 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.488 HD13 ' CE2' ' A' ' 21' ' ' PHE . 16.7 tp -57.95 -51.63 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.135 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -56.82 -42.74 80.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.657 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -62.51 -32.09 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.452 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 75.3 m-70 -110.77 14.93 22.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.666 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.643 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.5 ptm180 -53.44 -35.32 60.35 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.805 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -29.92 65.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 6.8 ptt? -57.27 -29.1 63.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -178.796 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 27.0 p -62.73 -28.19 69.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.681 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -71.25 -13.02 61.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 64.7 mmtt -86.88 17.78 3.87 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.246 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -175.37 -42.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.08 -0.648 . . . . 0.0 112.197 178.879 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 tttm 61.15 6.47 1.31 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 90.6 p -86.83 161.8 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.745 179.487 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -93.69 -66.34 0.93 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -60.42 -45.29 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 22.7 t0 -60.05 -45.26 93.45 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.296 -178.288 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.641 ' CD1' ' O ' ' A' ' 66' ' ' SER . 59.7 mt -58.98 -41.25 82.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 88.9 mt -56.24 -40.95 74.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.361 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -62.58 -45.78 91.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.505 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 8.7 mmmm -63.22 -52.99 60.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.358 -179.277 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.509 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 8.4 mp -57.27 -41.19 79.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.164 -0.615 . . . . 0.0 110.303 -179.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.538 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 76.1 m-20 -55.46 -44.65 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.466 ' HG2' ' NZ ' ' A' ' 80' ' ' LYS . 68.8 tt0 -69.2 -38.8 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.052 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -70.56 -37.32 73.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -58.31 -43.88 88.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.868 179.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.509 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 2.7 m120 -65.14 -36.81 85.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.001 -179.697 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.466 ' NZ ' ' HG2' ' A' ' 76' ' ' GLU . 45.0 mttp -78.98 -73.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.19 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.7 t0 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.725 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.256 -1.537 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -75.52 -82.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.854 0 C-N-CA 122.51 2.14 . . . . 0.0 112.739 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 tp 40.43 49.72 2.65 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.095 -179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 6' ' ' MET . . . -83.76 -164.94 37.71 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.893 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -64.14 -1.6 1.65 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.763 0.316 . . . . 0.0 110.415 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.447 ' H ' ' C ' ' A' ' 4' ' ' GLY . 76.7 mtm -56.97 -34.12 67.75 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.277 0.56 . . . . 0.0 109.584 179.699 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.419 ' N ' ' ND2' ' A' ' 7' ' ' ASN . 3.6 m120 -40.5 138.17 0.99 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.486 -179.512 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -81.67 158.49 24.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.056 -178.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -74.42 147.88 41.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.247 0.546 . . . . 0.0 111.667 -179.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.0 p -83.12 161.2 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -54.24 -38.41 65.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.58 -49.59 65.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.753 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.704 0.764 . . . . 0.0 109.418 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 6.8 t-105 -63.12 -49.72 73.29 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.138 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -55.06 -38.69 68.34 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.462 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -64.29 -43.79 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.286 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 57.6 tp -59.79 -38.68 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.404 179.105 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 27.6 mttt -60.78 -47.78 84.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.951 -179.082 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -60.51 -40.06 90.07 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.218 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -61.75 -44.89 96.03 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.453 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.5 m-30 -62.42 -45.32 93.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.66 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.74 -50.14 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.219 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -56.93 -38.28 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.819 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.66 -32.6 83.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 6.6 mm -67.56 -33.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.781 -0.21 . . . . 0.0 110.586 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -88.09 -20.99 24.95 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.168 179.424 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -72.23 -34.26 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -95.9 146.44 24.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.365 0.603 . . . . 0.0 111.614 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -59.24 -26.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -52.75 -17.47 1.36 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.4 pttp -49.7 -22.32 1.33 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.78 0.8 . . . . 0.0 109.697 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -54.75 -42.05 71.15 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.015 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.58 -52.94 62.33 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.12 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.493 HG21 HE21 ' A' ' 46' ' ' GLN . 4.6 p -60.88 -28.49 43.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.266 0.555 . . . . 0.0 110.204 -179.303 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 40' ' ' SER . . . -64.31 -46.42 83.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.397 179.482 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -68.43 -38.07 80.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.849 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 HE22 ' A' ' 46' ' ' GLN . 7.6 tt -59.54 -36.28 75.85 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.384 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.542 ' OG1' ' CG ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -107.26 18.4 21.69 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.036 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.681 ' O ' ' OG ' ' A' ' 40' ' ' SER . 45.9 m-20 61.3 55.99 2.78 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.713 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.681 ' OG ' ' O ' ' A' ' 39' ' ' ASN . 4.1 p 61.54 87.4 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.687 -179.456 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.707 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -105.32 146.97 33.79 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.881 179.329 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.36 -99.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.298 -2.087 0 C-N-CA 122.481 2.121 . . . . 0.0 112.313 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.0 mt -104.43 -8.75 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.476 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.415 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 13.7 ttt -61.05 -47.53 85.96 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.177 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 51.8 m-80 50.14 50.07 19.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.935 -179.091 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.587 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 14.6 pt20 49.65 64.11 1.89 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.905 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 13.6 mt -52.31 -46.96 66.18 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.526 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 6.6 p-10 -59.17 -52.48 65.53 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.088 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HB2' ' OE1' ' A' ' 46' ' ' GLN . 35.8 mt -66.81 -38.26 86.13 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.296 179.677 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.5 OUTLIER -59.3 -46.67 87.92 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.048 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.1 m170 -59.86 -50.13 74.99 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.81 -48.57 81.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.43 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 63.0 t90 -57.59 -55.63 32.33 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.108 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.2 tp -56.28 -50.52 71.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -55.13 -45.54 75.57 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.508 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -61.91 -31.07 71.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 53' ' ' TRP . 62.6 m-70 -110.77 14.61 22.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.466 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 14.9 ptm180 -54.41 -34.42 61.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 111.011 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.85 -27.58 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.722 179.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.76 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 9.8 ptm -59.11 -29.08 67.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 10.1 p -60.77 -27.3 67.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.288 -179.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -75.52 -12.76 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.061 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.5 mttp -86.96 20.84 2.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.76 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.0 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 178.153 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 tttm 62.32 49.47 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.946 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.635 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 27.7 p -147.31 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.198 -178.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 46.1 tttm -99.55 -61.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.802 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -59.23 -41.59 89.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.32 -47.93 80.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.455 -179.331 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.635 ' CD1' ' O ' ' A' ' 66' ' ' SER . 42.3 mt -60.65 -40.78 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.296 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 56.1 mt -58.8 -42.32 88.84 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.169 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.37 -44.7 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.731 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' A' ' 73' ' ' LYS . 1.7 mmmm -60.6 -50.14 74.73 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 74' ' ' LEU . 10.1 mp -54.88 -43.61 73.34 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.086 -179.367 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -57.95 -46.56 84.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.212 -179.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.83 -39.49 90.88 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.733 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -71.78 -41.54 68.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.41 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 1.5 t90 -54.1 -42.94 69.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.499 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -71.2 -43.2 67.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.408 0.623 . . . . 0.0 109.883 179.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -62.45 -34.42 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.405 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.832 -178.976 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -51.51 154.13 9.34 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.753 2.302 . . . . 0.0 112.277 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.43 -75.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.019 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -118.73 76.0 0.3 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 4' ' ' GLY . 60.2 p 30.92 52.28 0.14 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.86 0.362 . . . . 0.0 110.521 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.5 mtt -91.45 115.73 28.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.589 ' OD1' ' O ' ' A' ' 7' ' ' ASN . 29.9 p-10 -119.58 146.42 45.52 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.472 179.565 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -89.59 171.24 9.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.199 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.437 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 73.8 m-85 -77.79 144.88 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.86 179.524 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.6 p -81.7 159.7 23.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 92.9 m-20 -53.84 -40.81 66.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.316 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.604 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 75.0 m-20 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.929 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.645 0.735 . . . . 0.0 109.641 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.458 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.2 t-105 -63.29 -46.14 88.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.782 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.592 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 57.4 m-20 -54.41 -39.92 67.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.952 0.406 . . . . 0.0 110.431 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.604 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.6 mp0 -64.33 -42.5 96.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.427 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 33.2 tp -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.9 178.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.663 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 25.9 mttt -60.36 -46.95 88.13 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.873 179.749 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.592 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -59.65 -40.22 86.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.121 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 54' ' ' LEU . 4.0 m-30 -62.61 -44.59 95.91 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.725 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.5 mt -57.12 -51.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.516 178.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -56.09 -35.27 66.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.37 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.65 -42.15 97.71 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.441 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 1.2 mp -75.24 -23.95 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -92.04 -26.39 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.229 -179.562 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -31.4 50.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.94 178.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 37.6 p30 -100.59 -177.13 3.4 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.416 0.627 . . . . 0.0 111.828 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.97 -25.65 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.413 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -51.5 -15.33 0.41 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -56.28 -39.82 73.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.989 0.423 . . . . 0.0 110.979 -179.711 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -59.49 -40.18 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.182 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.665 ' CD2' ' ND2' ' A' ' 79' ' ' ASN . 9.1 mp -59.69 -39.77 85.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.184 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -64.4 -42.55 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.413 179.058 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.647 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -64.32 -45.57 87.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' HZ3' ' CB ' ' A' ' 36' ' ' LYS . 7.9 mtmp? -59.93 -37.93 80.89 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.717 -179.646 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.508 HD11 HE22 ' A' ' 46' ' ' GLN . 7.9 tt -67.42 -42.49 83.11 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.817 179.043 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.647 ' O ' ' O ' ' A' ' 35' ' ' ALA . 5.2 m -96.07 126.03 41.02 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.894 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -52.51 -41.29 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.682 -179.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -128.41 -73.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.038 0.447 . . . . 0.0 110.556 -179.646 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -30.93 95.83 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.105 -179.803 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' SER . 62.8 Cg_endo -87.16 -65.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 123.122 2.548 . . . . 0.0 111.979 179.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.717 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 18.8 mm -62.94 -29.73 47.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.102 0.477 . . . . 0.0 110.584 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.413 ' HE1' ' N ' ' A' ' 47' ' ' LEU . 12.5 ttt -51.01 -31.15 17.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.102 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.717 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 69.4 m-80 53.3 28.92 7.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.348 179.39 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.508 HE22 HD11 ' A' ' 37' ' ' LEU . 7.6 mt-30 61.34 46.93 7.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.787 179.416 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 5.9 mt -36.51 -54.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.573 -179.033 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 49' ' ' LEU . 46.8 p-10 -61.25 -49.14 78.31 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -177.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.562 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 53.7 mt -70.1 -42.25 72.95 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.716 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -60.52 -45.06 95.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 -179.181 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.663 ' CG ' ' HZ2' ' A' ' 18' ' ' LYS . 17.2 m170 -58.15 -48.77 79.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.45 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.55 -45.9 92.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -56.39 -56.29 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 21' ' ' PHE . 13.5 tp -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.411 -178.807 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 65.9 m-20 -57.46 -43.26 83.84 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' C ' ' HD1' ' A' ' 57' ' ' HIS . 56.1 ttt180 -62.54 -30.31 71.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.747 -178.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.587 ' O ' ' SD ' ' A' ' 60' ' ' MET . 2.8 m-70 -111.65 19.78 17.75 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.674 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.5 ptm180 -56.23 -33.03 65.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.819 0.342 . . . . 0.0 111.303 178.871 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -53.89 -36.01 62.21 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.5 -178.795 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.587 ' SD ' ' O ' ' A' ' 57' ' ' HIS . 3.2 ptt? -58.19 -29.09 65.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.373 -178.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -64.89 -28.36 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.083 0.468 . . . . 0.0 110.892 -179.261 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -69.67 -22.47 63.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.85 -76.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.044 -179.41 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.733 ' O ' ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -82.17 31.97 0.39 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.535 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' TRP . 80.1 tttt -30.76 77.59 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.916 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 64' ' ' TRP . 2.9 p -162.37 113.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.139 179.089 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.8 tttm -47.02 -63.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.76 -39.91 86.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.008 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 61.5 m-20 -65.74 -44.74 85.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.976 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' CZ ' ' A' ' 21' ' ' PHE . 80.9 mt -58.11 -45.8 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.968 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 87.8 mt -55.8 -41.45 74.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.681 ' C ' ' HD1' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -64.25 -51.82 61.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.023 179.634 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 26.1 mmmt -58.2 -51.57 69.19 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.083 -179.416 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 70' ' ' ILE . 5.6 mp -57.79 -39.83 78.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.866 179.585 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.551 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 83.7 m-20 -57.52 -43.77 84.55 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.415 179.475 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -67.06 -38.54 85.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.31 -42.7 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.933 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.441 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 1.8 t90 -56.51 -40.25 74.69 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.758 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.665 ' ND2' ' CD2' ' A' ' 33' ' ' LEU . 6.7 m120 -64.54 -39.97 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.723 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 81' ' ' ASP . 18.7 mmtm -84.98 -3.82 58.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.853 179.461 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' A' ' 80' ' ' LYS . 47.2 t0 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.714 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.37 145.69 8.11 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.841 2.361 . . . . 0.0 112.272 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 tt -82.08 138.45 34.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.439 -179.077 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.89 -157.14 7.97 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -78.11 0.18 25.74 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.857 0.36 . . . . 0.0 110.745 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 6' ' ' MET . 0.9 OUTLIER -83.53 124.37 30.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.671 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -130.96 69.94 1.47 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.88 153.48 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.228 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -75.2 152.72 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.48 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 70.5 p -85.47 160.81 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.129 179.342 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.05 -39.53 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.15 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -65.4 -46.71 78.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.988 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.48 ' H ' ' HG1' ' A' ' 10' ' ' THR . 74.0 mm-40 -64.85 -38.99 92.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.033 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.625 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 7.3 t-105 -62.1 -47.07 86.24 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.451 179.679 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -54.6 -40.3 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.169 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.82 -43.63 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.095 179.368 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 21' ' ' PHE . 17.5 tp -65.51 -42.22 92.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.882 178.773 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.723 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 11.9 mtmt -61.9 -43.93 97.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.465 -179.822 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.23 -40.38 97.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.46 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -60.28 -43.88 95.85 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.11 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 17' ' ' LEU . 5.5 m-30 -60.89 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.7 mt -58.97 -46.8 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.424 178.192 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.9 m -56.5 -44.02 80.31 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.18 -31.74 81.85 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.558 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 18.5 mt -71.95 -43.49 68.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.26 -23.31 51.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.194 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -73.85 -38.62 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.089 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.558 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 57.3 p30 -90.42 161.54 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.142 0.496 . . . . 0.0 111.891 -178.835 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.643 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.5 tt0 -63.24 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.637 179.481 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -55.01 -4.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.643 ' H ' ' C ' ' A' ' 29' ' ' GLU . 23.6 pttm -61.14 -28.9 69.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.621 179.413 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -58.38 -36.51 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 33' ' ' LEU . 5.3 mp -62.06 -46.92 87.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.509 -179.244 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 31' ' ' LYS . 7.6 p -70.2 -32.33 50.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.178 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -58.27 -44.28 88.34 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HG3' ' HZ2' ' A' ' 36' ' ' LYS . 17.0 mttp -61.21 -43.61 98.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.666 178.712 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' C ' ' H ' ' A' ' 39' ' ' ASN . 7.4 tt -66.92 -38.23 85.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.788 179.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 40' ' ' SER . 41.2 p -66.33 8.04 0.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.892 0.377 . . . . 0.0 110.22 179.628 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.587 ' H ' ' C ' ' A' ' 37' ' ' LEU . 44.2 t-20 72.9 -44.05 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.937 179.698 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 38' ' ' THR . 0.1 OUTLIER 173.36 9.13 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.648 179.514 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.17 155.14 90.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.603 0.239 . . . . 0.0 110.373 179.716 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -75.83 -89.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.315 2.01 . . . . 0.0 111.844 179.229 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.826 ' O ' ' N ' ' A' ' 45' ' ' ASN . 15.0 mm -79.99 -76.58 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.545 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.531 ' C ' ' O ' ' A' ' 43' ' ' ILE . 0.6 OUTLIER 21.46 -72.1 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.485 0.491 . . . . 0.0 111.108 -179.352 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.826 ' N ' ' O ' ' A' ' 43' ' ' ILE . 31.4 m120 73.57 41.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.216 179.299 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 45' ' ' ASN . 16.6 pt20 46.4 59.57 3.77 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.844 0.831 . . . . 0.0 110.453 -179.077 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.413 ' H ' ' HE2' ' A' ' 44' ' ' MET . 10.2 mt -53.39 -50.31 65.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.931 -179.676 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.54 -51.06 71.06 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.722 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.6 -45.18 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.668 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tt -59.21 -40.18 84.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.225 -178.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.723 ' CG ' ' HZ2' ' A' ' 18' ' ' LYS . 4.1 m-70 -60.58 -47.43 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.01 179.645 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -61.64 -46.72 88.56 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.12 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -58.3 -57.18 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.103 0.477 . . . . 0.0 110.39 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.4 tp -55.55 -48.96 73.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.209 -179.056 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.625 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 98.5 m-20 -57.84 -44.78 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.811 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -60.06 -29.11 68.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 110.591 -179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' O ' ' HG2' ' A' ' 60' ' ' MET . 82.5 m-70 -113.75 20.25 16.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.423 -179.543 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -54.11 -35.48 62.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -58.13 -31.91 67.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.701 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.0 ptt? -59.33 -29.28 67.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -63.67 -28.81 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.043 0.449 . . . . 0.0 110.365 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -74.08 -12.39 60.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.997 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.12 -56.3 4.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.672 ' C ' ' H ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -86.19 -30.94 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.537 -179.354 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp 62.97 -11.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.137 -179.181 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.672 ' H ' ' C ' ' A' ' 64' ' ' TRP . 5.1 p -96.2 131.0 43.13 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.212 0.53 . . . . 0.0 111.614 -179.467 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -65.98 -53.72 35.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -60.87 -38.12 84.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.581 -0.448 . . . . 0.0 112.046 -177.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.27 -44.39 95.25 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.432 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 64' ' ' TRP . 69.2 mt -58.3 -45.77 89.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.176 -179.642 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.0 mt -55.78 -39.61 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.08 -46.54 89.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.9 mmmt -60.13 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.909 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 HD11 ' N ' ' A' ' 74' ' ' LEU . 9.0 mp -57.8 -45.5 85.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.203 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -53.84 -45.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.69 -179.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -71.08 -40.32 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.005 -179.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 80' ' ' LYS . 92.8 mt-30 -70.71 -36.31 73.18 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.577 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 5.4 t-105 -51.1 -31.64 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.753 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.11 -10.58 60.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.062 0.458 . . . . 0.0 109.948 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -84.49 -12.07 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.854 179.413 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.577 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 42.0 p30 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.412 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.14 142.17 96.93 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.56 2.173 . . . . 0.0 111.527 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.679 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 1.7 mm? -68.22 149.25 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.152 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.88 -163.84 31.81 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -74.91 0.86 14.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.142 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -3.48 57.42 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.242 178.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.72 146.11 50.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.823 179.379 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -89.85 171.7 9.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.816 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -75.99 144.83 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.617 -179.303 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 14' ' ' TRP . 44.2 p -79.56 162.58 25.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 98.1 m-20 -57.17 -40.53 77.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.371 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.59 -46.6 85.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.91 -40.08 87.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.682 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.434 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 9.2 t-105 -62.79 -49.0 76.7 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.221 179.537 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.567 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.8 m120 -56.18 -39.56 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.463 179.297 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -62.38 -43.9 97.72 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.54 -38.04 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.592 179.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.566 ' NZ ' ' CG ' ' A' ' 51' ' ' HIS . 30.4 mttt -58.5 -44.2 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.854 179.58 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.567 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -57.48 -43.89 84.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.849 -179.865 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.61 -44.92 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 25' ' ' ILE . 5.4 m-30 -62.89 -47.67 82.31 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.317 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.694 ' CG2' ' ND2' ' A' ' 45' ' ' ASN . 59.8 mt -58.22 -51.14 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.607 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 28.9 t -55.98 -41.9 75.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.83 -40.28 94.92 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.83 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 21' ' ' PHE . 16.7 mm -72.11 -39.98 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.625 -179.691 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.637 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -74.43 -29.15 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.354 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' SER . 91.5 mt-10 -73.5 -34.67 65.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 179.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -89.31 146.7 24.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -55.75 -24.88 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.144 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -48.88 -17.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.732 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -51.78 -25.31 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.403 -178.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -54.39 -30.59 52.64 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.274 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.614 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.896 179.487 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' O ' ' A' ' 43' ' ' ILE . 1.4 t -63.41 -42.16 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.171 0.51 . . . . 0.0 109.808 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.39 98.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.049 -179.305 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -68.54 -40.38 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.616 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.27 -36.43 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.407 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.587 ' O ' ' C ' ' A' ' 39' ' ' ASN . 99.7 m -106.59 108.36 19.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.138 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' A' ' 38' ' ' THR . 3.8 m120 12.75 -133.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.431 179.832 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 m -97.41 21.56 9.97 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.961 -179.305 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.47 152.35 89.77 Favored Pre-proline 0 C--N 1.331 -0.217 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.741 -179.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.6 -85.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 123.011 2.474 . . . . 0.0 111.837 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.664 ' C ' ' H ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -101.49 -77.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.402 -179.796 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.472 ' HE2' ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER 64.59 -33.9 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.512 -179.937 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.694 ' ND2' ' CG2' ' A' ' 22' ' ' ILE . 78.6 m-20 59.41 3.91 0.44 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.233 179.541 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 44' ' ' MET . 14.7 mt-30 63.36 41.81 7.35 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.102 179.096 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' H ' ' HE2' ' A' ' 44' ' ' MET . 77.6 mt -38.3 -58.64 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -177.735 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.66 -51.75 68.26 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.877 -177.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.7 mm? -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.372 179.501 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 2.5 tt -58.09 -44.91 87.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 -178.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CG ' ' NZ ' ' A' ' 18' ' ' LYS . 30.9 m170 -61.58 -46.18 90.95 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.098 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -61.01 -50.54 72.95 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -56.08 -55.33 34.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.562 0.696 . . . . 0.0 109.598 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.417 HD21 ' NE1' ' A' ' 14' ' ' TRP . 19.6 tp -56.4 -53.67 54.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.113 -179.817 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -54.52 -39.67 67.85 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.449 HH11 ' CE1' ' A' ' 57' ' ' HIS . 74.9 ttt-85 -65.9 -32.34 73.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.341 -179.506 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.1 m-70 -110.17 13.88 23.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.758 -179.211 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.515 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.9 ptm180 -50.26 -33.82 21.07 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -58.1 -28.74 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.862 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.92 -29.41 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.281 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.1 p -63.18 -29.95 71.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HG2' ' SG ' ' A' ' 61' ' ' CYS . 73.4 mm-40 -76.54 -12.53 60.04 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.352 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 76.2 mttt -83.98 20.38 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.49 -43.58 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.94 178.501 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 13.0 tttp 72.86 -15.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.424 179.72 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.549 ' HG ' ' HB2' ' A' ' 69' ' ' ASP . 5.1 p -89.14 126.79 35.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.447 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -59.18 -50.38 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 43.2 mm-40 -58.96 -40.62 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -176.692 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.549 ' HB2' ' HG ' ' A' ' 66' ' ' SER . 72.4 m-20 -65.89 -45.1 83.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.303 0.573 . . . . 0.0 110.239 179.641 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.495 HG12 ' CD1' ' A' ' 64' ' ' TRP . 79.1 mt -57.19 -47.69 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.722 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.28 -41.01 87.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.705 -179.4 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 68' ' ' GLU . 81.9 m-70 -57.85 -42.02 83.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.017 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.494 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 4.4 mptp? -64.94 -49.64 69.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.316 179.006 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 74' ' ' LEU . 7.0 mp -58.15 -39.89 79.94 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.298 -179.859 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.87 -49.29 75.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -38.65 90.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.037 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 98.4 mm-40 -68.77 -40.52 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.111 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.82 -42.9 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 0.0 109.913 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.66 -42.51 97.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.553 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -87.34 -1.03 57.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.705 179.853 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 80' ' ' LYS . 60.9 t0 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.461 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.512 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 61.7 Cg_exo -47.88 138.96 20.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.888 2.392 . . . . 0.0 112.298 -179.743 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 4' ' ' GLY . 17.5 tp -153.67 -115.12 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.853 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 26.19 -141.5 0.01 OUTLIER Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.756 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 m -89.42 17.5 6.17 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.737 0.303 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 54.7 mtt -68.96 103.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.712 -179.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -173.04 130.33 0.48 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.237 179.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -87.27 171.91 10.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.165 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -77.34 145.83 37.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.811 179.372 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p -82.45 162.63 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.978 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -55.51 -42.99 75.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.029 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.716 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 89.2 m-20 -62.05 -46.78 87.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.315 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.87 -41.81 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.538 0.685 . . . . 0.0 109.482 179.036 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.521 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 4.2 t-105 -62.73 -47.23 84.47 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.709 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -54.43 -39.48 67.41 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.869 -0.333 . . . . 0.0 111.321 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.716 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -65.59 -41.98 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.521 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 19.2 tp -60.69 -35.36 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.942 179.005 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 29.3 mttt -61.68 -48.19 81.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.331 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.85 -39.06 87.72 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.748 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.2 -43.65 92.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.977 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.508 ' CE2' HD22 ' A' ' 74' ' ' LEU . 5.9 m-30 -68.32 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.165 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.85 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.607 178.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -56.12 -45.99 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.668 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.08 -33.34 74.11 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.512 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 18.9 mm -71.86 -37.9 63.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 O-C-N 122.624 -0.339 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.36 -33.08 37.55 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.154 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 76.9 mm-40 -72.46 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.561 179.172 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.2 p30 -95.02 167.03 11.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.33 0.586 . . . . 0.0 111.477 -179.57 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.1 tt0 -56.07 -30.3 61.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.289 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' OE1' ' HB3' ' A' ' 75' ' ' ASN . 10.4 mt-30 -50.69 -6.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.147 -178.394 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 29' ' ' GLU . 11.4 ttmm -57.01 -42.84 81.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -63.02 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.96 -42.98 99.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.293 0.568 . . . . 0.0 110.403 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.45 HG21 ' CZ2' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -67.35 -38.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.337 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' N ' HG12 ' A' ' 34' ' ' VAL . . . -62.66 -40.66 97.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.325 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -58.41 -46.59 86.13 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.243 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' CD1' ' OE1' ' A' ' 46' ' ' GLN . 9.1 tt -58.48 -40.62 83.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.28 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.637 ' O ' ' N ' ' A' ' 40' ' ' SER . 28.5 m -112.07 108.75 18.15 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.68 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' A' ' 38' ' ' THR . 99.3 m-20 26.25 -86.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.097 179.19 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.637 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.2 m -172.62 41.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.873 -179.652 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.499 ' CB ' ' ND2' ' A' ' 45' ' ' ASN . 0.5 OUTLIER -84.84 153.01 60.34 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.552 -179.083 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.524 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 85.9 Cg_endo -80.88 -68.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 123.245 2.63 . . . . 0.0 112.679 179.335 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.524 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 77.3 mt -90.97 -72.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.498 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.582 ' O ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -56.42 100.69 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.244 -179.854 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 11.8 m120 -137.41 103.17 4.99 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.99 -179.737 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.587 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 4.8 pt20 47.57 41.06 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.32 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.5 mt -56.19 -43.36 78.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.43 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.03 -45.89 86.2 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.417 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 ' HB2' HE21 ' A' ' 46' ' ' GLN . 30.8 mt -65.62 -38.63 89.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.477 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.15 -44.81 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.215 -179.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.514 ' ND1' ' HD3' ' A' ' 18' ' ' LYS . 25.5 m-70 -57.5 -47.72 81.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.229 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -62.95 -47.97 80.9 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -56.15 -51.92 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.428 0.633 . . . . 0.0 109.329 179.352 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 21' ' ' PHE . 17.3 tp -58.99 -53.15 61.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.078 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -54.97 -41.1 70.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 58.9 ttp180 -65.2 -32.09 73.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' CE1' ' HE ' ' A' ' 56' ' ' ARG . 3.2 m-70 -109.04 16.72 22.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.294 -179.316 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.666 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.4 ptm180 -53.6 -33.77 56.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.843 0.354 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.56 -31.74 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.491 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.69 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.9 ptt? -57.74 -27.79 63.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -179.044 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 21.5 p -60.91 -28.74 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.978 0.418 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -75.03 -15.42 60.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.996 -179.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -85.11 17.15 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.69 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -28.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.775 178.44 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 mttm 52.29 14.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.328 0.585 . . . . 0.0 109.549 -179.256 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 82.6 p -92.44 157.82 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.241 179.051 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' HD23 ' A' ' 71' ' ' LEU . 23.8 tttt -99.42 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 0.0 111.259 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.02 -38.79 80.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.79 -178.319 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 74.9 m-20 -62.71 -42.12 99.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.25 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 66' ' ' SER . 73.1 mt -59.96 -42.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.761 179.282 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.551 HD23 ' N ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -53.14 -42.15 65.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.634 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -58.87 -42.42 89.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.803 178.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.8 mmmt -63.26 -52.84 60.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.508 HD22 ' CE2' ' A' ' 21' ' ' PHE . 7.8 mp -57.55 -38.97 75.62 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.178 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.411 ' HB3' ' OE1' ' A' ' 30' ' ' GLN . 95.0 m-20 -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.479 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.17 -38.75 88.83 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.628 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.06 -40.41 75.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.888 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.45 ' CZ2' HG21 ' A' ' 34' ' ' VAL . 2.2 t-105 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -63.96 -46.17 85.89 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -58.95 -31.96 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.28 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.49 179.684 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -53.98 154.39 17.69 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.747 2.298 . . . . 0.0 112.497 179.672 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pp -86.98 142.08 28.21 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.51 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.93 -164.8 35.65 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -75.48 114.49 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.094 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 ptp -177.24 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.81 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -81.63 -176.18 5.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.11 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -71.71 169.65 15.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.089 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -72.98 155.24 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.339 -179.61 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.6 p -84.25 159.79 20.9 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.101 -179.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -54.29 -41.46 68.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.174 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.534 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 55.6 m-20 -64.93 -47.16 78.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.583 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.1 -40.28 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.497 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.1 t-105 -60.17 -43.23 96.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.621 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 8.3 m120 -54.95 -40.28 69.81 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.578 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -62.37 -44.78 95.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.773 179.701 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.1 tp -60.65 -39.37 88.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.674 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 23.8 mttm -60.75 -47.94 84.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.621 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -59.74 -40.5 88.31 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.609 -179.488 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.26 -47.0 88.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.371 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.47 ' CZ ' HG23 ' A' ' 70' ' ' ILE . 4.6 m-30 -62.75 -47.28 84.23 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.402 . . . . 0.0 110.315 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.48 -47.99 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.1 m -56.74 -41.4 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.69 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.0 65.47 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.634 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 31.8 mm -67.27 -35.82 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 117.435 0.618 . . . . 0.0 110.043 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -83.02 -20.72 34.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.907 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -71.82 -36.19 70.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.636 179.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.634 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.1 p-10 -93.94 153.75 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.758 179.23 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.67 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.556 -178.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -49.56 -21.32 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.974 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -52.85 -22.27 5.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.636 -179.167 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.487 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 49.2 t0 -59.72 -36.27 76.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.822 179.245 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.39 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.05 179.039 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -63.85 -44.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.345 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.639 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -61.36 -39.97 92.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.134 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 18.4 mttp -63.92 -48.5 76.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.268 178.71 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD23 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -46.76 -52.32 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.07 -179.883 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.667 ' CG2' ' O ' ' A' ' 40' ' ' SER . 4.9 t -104.46 3.74 32.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.338 -179.264 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.639 ' N ' ' O ' ' A' ' 35' ' ' ALA . 12.3 t30 61.8 31.4 18.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.571 179.454 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.667 ' O ' ' CG2' ' A' ' 38' ' ' THR . 1.5 t 154.42 -168.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.476 179.613 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.644 ' N ' ' OG ' ' A' ' 40' ' ' SER . 1.1 m-20 45.06 64.5 7.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -178.583 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.715 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 8.3 Cg_exo -67.22 -63.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.302 -1.878 0 C-N-CA 122.471 2.114 . . . . 0.0 111.796 -178.364 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.74 -40.05 67.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.418 -179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.466 ' HE2' ' H ' ' A' ' 47' ' ' LEU . 10.7 ttp -52.81 -27.79 19.73 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.992 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.715 ' ND2' ' O ' ' A' ' 42' ' ' PRO . 6.8 m120 53.87 31.06 12.52 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.008 179.086 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.624 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 55.99 47.28 20.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.79 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 46' ' ' GLN . 3.4 mt -31.9 -53.89 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -178.61 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -59.25 -52.88 63.75 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.31 -41.54 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 5.4 tt -57.47 -43.23 83.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.035 -178.605 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.674 ' CG ' ' HZ2' ' A' ' 18' ' ' LYS . 19.2 m170 -59.04 -47.82 83.84 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.403 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -58.62 -46.96 85.94 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.197 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.405 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 52.3 t90 -57.94 -52.5 65.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.09 -50.76 68.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.718 -179.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -56.61 -43.27 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.85 -32.35 70.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' MET . 71.0 m-70 -118.21 23.84 11.34 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.673 -179.327 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.1 ptm180 -54.5 -34.95 62.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.119 0.485 . . . . 0.0 111.043 179.354 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.82 -32.3 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.171 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.5 ptt? -57.73 -27.77 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.664 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.3 p -60.29 -28.31 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.969 -178.829 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.27 -12.17 60.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -178.606 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 20.5 mtpp -86.66 21.71 2.11 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.23 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.67 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.66 178.679 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 16.4 tttp 67.15 -28.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.58 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.705 ' H ' ' C ' ' A' ' 64' ' ' TRP . 18.1 p -83.09 130.98 35.17 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.661 179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -67.28 -38.76 85.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.276 -179.143 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -59.61 -39.78 85.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.923 -178.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.567 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 42.7 t0 -64.18 -50.08 69.55 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.818 178.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.5 HG12 ' NE1' ' A' ' 64' ' ' TRP . 90.4 mt -57.88 -42.63 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.149 -179.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.539 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 42.0 mt -56.87 -42.81 80.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.48 ' HD1' ' HD2' ' A' ' 73' ' ' LYS . 55.4 t-80 -63.94 -50.4 68.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.057 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.567 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -59.0 -50.14 75.23 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.698 179.431 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 HD11 ' N ' ' A' ' 74' ' ' LEU . 5.7 mp -59.18 -38.12 79.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.408 179.645 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.539 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 69.6 m-20 -55.36 -46.67 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.543 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.5 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 86.4 mt-10 -68.53 -39.96 80.96 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' ASP . 81.5 mt-30 -68.54 -40.8 80.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.73 179.248 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.23 -43.01 70.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.958 179.54 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -68.89 -35.98 77.52 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 76' ' ' GLU . 28.3 mtmm -84.85 -6.18 59.34 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.144 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' GLN . 65.1 t0 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.859 -1.067 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.49 -4.12 14.33 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.778 2.319 . . . . 0.0 112.287 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.592 ' HG ' ' H ' ' A' ' 5' ' ' SER . 17.0 tp 63.78 -94.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.784 -179.764 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.721 ' O ' ' N ' ' A' ' 6' ' ' MET . . . 65.66 35.19 90.76 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.715 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.592 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 37.96 17.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.121 0.486 . . . . 0.0 109.85 -179.107 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.721 ' N ' ' O ' ' A' ' 4' ' ' GLY . 52.0 ttp -90.35 122.89 33.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.948 -179.611 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.537 ' OD1' ' O ' ' A' ' 6' ' ' MET . 1.1 m120 166.34 -176.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.324 0.583 . . . . 0.0 111.386 179.721 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -80.85 171.76 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.989 179.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -77.43 140.6 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.0 p -85.04 167.23 16.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -53.64 -41.01 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.077 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.59 -45.95 77.57 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.012 0.434 . . . . 0.0 110.046 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.05 -40.34 94.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 0.0 109.62 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.459 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.3 t-105 -64.2 -47.07 81.17 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.281 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -54.42 -39.49 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.331 0.586 . . . . 0.0 110.125 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -64.32 -42.59 96.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 17.9 tp -60.71 -39.56 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.868 179.395 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.508 ' HZ1' ' CG ' ' A' ' 51' ' ' HIS . 29.4 mttt -59.53 -45.14 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.08 179.751 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -59.2 -42.61 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.697 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.74 -43.51 98.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.227 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CD2' ' CD2' ' A' ' 74' ' ' LEU . 3.3 m-30 -63.18 -46.87 85.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.112 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.495 HG21 HD21 ' A' ' 45' ' ' ASN . 97.2 mt -58.76 -48.3 86.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.497 178.346 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.8 t -56.41 -43.69 79.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.29 92.93 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.443 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 19.4 mm -71.08 -39.41 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.566 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.67 -24.69 38.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.983 179.493 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 27' ' ' GLU . 8.2 tm-20 -71.42 -38.65 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.345 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 30' ' ' GLN . 48.2 p30 -88.9 159.84 17.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.153 0.501 . . . . 0.0 111.377 -179.519 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' A' ' 31' ' ' LYS . 86.5 tt0 -62.36 -30.23 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.542 179.439 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 87.9 mt-30 -55.81 -3.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.177 -179.671 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 29' ' ' GLU . 58.4 pttt -56.94 -29.56 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.978 0.418 . . . . 0.0 109.984 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -57.58 -38.75 75.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' CD1' HD22 ' A' ' 79' ' ' ASN . 66.8 mt -56.59 -46.5 80.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.744 -178.766 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.464 HG23 HE21 ' A' ' 46' ' ' GLN . 3.9 p -73.71 -37.23 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.071 -179.426 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 39' ' ' ASN . . . -56.76 -42.94 80.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.628 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -60.55 -47.26 86.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.036 178.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.59 -46.69 86.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.288 179.63 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.514 ' OG1' ' OD1' ' A' ' 41' ' ' ASP . 2.8 t -90.67 19.67 5.24 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.28 179.387 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 38' ' ' THR . 1.9 m120 84.81 -76.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.65 ' O ' ' OG ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -174.48 60.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.25 0.548 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.514 ' OD1' ' OG1' ' A' ' 38' ' ' THR . 3.5 m-20 -90.93 148.47 38.21 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.169 179.486 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -64.12 -80.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.444 2.096 . . . . 0.0 111.403 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.785 ' O ' ' N ' ' A' ' 45' ' ' ASN . 56.7 mt -94.07 -80.71 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.477 179.283 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.543 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.6 ttt 20.58 -74.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.671 0.607 . . . . 0.0 110.986 -179.816 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.785 ' N ' ' O ' ' A' ' 43' ' ' ILE . 94.0 m-20 64.33 46.58 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.026 179.828 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 50' ' ' LEU . 52.8 mt-30 67.14 39.54 3.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.129 179.431 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 46' ' ' GLN . 9.4 mt -37.93 -55.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.41 -57.4 12.92 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.197 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 10.5 mp -67.33 -40.42 85.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.433 -179.831 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 46' ' ' GLN . 1.1 tt -58.32 -43.05 88.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.671 -179.551 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.508 ' CG ' ' HZ1' ' A' ' 18' ' ' LYS . 30.2 m170 -58.23 -49.75 75.97 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.312 -179.878 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.33 -47.85 84.0 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.446 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -55.79 -56.42 20.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.909 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.4 ' CD2' ' HG2' ' A' ' 18' ' ' LYS . 25.3 tp -55.95 -50.87 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.467 -179.306 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.092 -178.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -62.54 -32.79 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.248 0.547 . . . . 0.0 110.68 -179.613 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -111.03 18.09 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.972 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.8 ptm180 -52.08 -32.38 34.59 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.034 0.445 . . . . 0.0 110.347 179.302 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' A' ' 60' ' ' MET . 39.4 p30 -54.44 -26.36 30.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.241 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.743 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 11.4 ptp -54.36 -37.46 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.279 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.5 p -66.47 -29.07 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.588 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.19 -24.35 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.952 179.438 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -80.19 -53.44 6.67 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.575 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -95.56 -25.86 16.01 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.835 -179.77 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 18.0 tttp 55.56 -2.51 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.183 0.516 . . . . 0.0 110.072 -179.29 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.664 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.4 p -82.16 166.17 19.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.161 0.505 . . . . 0.0 111.918 -179.264 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -104.47 -72.25 0.71 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.856 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.81 -37.97 86.4 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.544 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 98.0 m-20 -62.0 -43.53 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.727 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.627 ' CD1' ' O ' ' A' ' 66' ' ' SER . 27.2 mt -60.44 -43.25 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.32 -40.9 71.71 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.791 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -59.72 -43.02 94.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.413 0.625 . . . . 0.0 109.768 179.549 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -61.18 -51.49 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.59 179.749 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD12 ' SD ' ' A' ' 60' ' ' MET . 7.9 mp -55.75 -38.72 70.2 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.77 -46.36 74.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.404 -0.518 . . . . 0.0 109.911 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.82 -40.16 83.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.3 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 81' ' ' ASP . 84.6 mm-40 -70.16 -40.68 74.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 0.0 110.123 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.548 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 1.7 t-105 -55.92 -42.68 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.744 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.503 HD22 ' CD1' ' A' ' 33' ' ' LEU . 2.2 m120 -71.45 -34.41 70.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.483 179.443 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.502 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 4.9 ttmm -84.36 -12.52 54.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.548 ' OXT' ' O ' ' A' ' 78' ' ' TRP . 9.5 m-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.446 -179.843 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -62.78 148.22 93.69 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.895 2.397 . . . . 0.0 112.425 -179.675 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 1.4 pt? -153.06 -23.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.249 179.664 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.94 15.47 10.0 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.556 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.489 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER 41.84 33.43 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.541 0.21 . . . . 0.0 111.347 179.673 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 14.4 ptp -79.75 122.24 26.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.051 0.453 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 6' ' ' MET . 2.7 p30 164.31 -172.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.152 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -80.09 169.79 17.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.713 -179.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -75.99 144.71 40.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -82.0 160.17 23.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.793 -179.19 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -54.18 -43.34 70.59 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.011 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.483 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 86.0 m-20 -67.24 -44.81 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.782 179.68 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.692 . . . . 0.0 109.303 179.198 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.448 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 6.7 t-105 -62.23 -46.43 88.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.189 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -54.98 -40.7 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 8.1 mp0 -63.17 -44.06 96.53 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' CD1' ' CE1' ' A' ' 21' ' ' PHE . 55.5 tp -58.78 -39.29 80.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.001 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HZ3' ' CG ' ' A' ' 51' ' ' HIS . 29.5 mttt -59.17 -45.54 90.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.279 179.618 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -59.83 -42.35 93.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.497 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -60.75 -43.06 98.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.8 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.556 ' CE2' ' CD2' ' A' ' 74' ' ' LEU . 6.4 m-30 -66.53 -43.91 83.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.308 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 96.5 mt -57.71 -50.34 77.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.17 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -57.89 -42.72 85.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.49 -34.48 89.55 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.81 -42.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.039 -179.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.578 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -75.9 -28.15 57.97 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.368 0.604 . . . . 0.0 109.583 178.877 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 22.9 tp10 -74.09 -25.25 59.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.097 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -97.84 160.44 14.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 0.0 111.548 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 31' ' ' LYS . 53.5 tt0 -60.15 -30.65 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.356 179.247 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -55.49 -8.99 0.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.257 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 10.7 pttm -55.5 -39.89 71.05 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.379 0.609 . . . . 0.0 109.599 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 87.9 m-20 -58.3 -44.35 88.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.222 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.69 -48.05 78.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.642 -179.258 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 2.7 p -65.55 -34.21 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.035 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.26 79.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.353 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' ASN . 17.8 mttt -67.23 -46.21 74.47 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.32 179.518 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.97 -42.75 63.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.401 -179.586 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.2 p -81.45 -1.45 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.815 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.681 ' O ' ' CB ' ' A' ' 40' ' ' SER . 2.8 t-20 51.65 35.35 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.661 -179.22 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.681 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 51.6 p 127.68 106.76 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.299 0.999 . . . . 0.0 109.917 -179.531 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.641 ' CG ' ' O ' ' A' ' 40' ' ' SER . 20.0 m-20 140.89 70.51 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 O-C-N 123.554 0.534 . . . . 0.0 109.576 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.626 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 12.2 Cg_exo -64.23 -56.66 0.42 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.918 1.746 . . . . 0.0 112.211 -179.661 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.56 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.5 mt -57.51 -42.43 80.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.317 -178.844 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttt -49.58 -34.82 18.77 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.593 -178.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.626 ' ND2' ' O ' ' A' ' 42' ' ' PRO . 1.5 m120 58.42 22.83 9.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.523 179.692 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.646 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 62.05 41.72 10.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.272 -179.735 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mt -38.19 -58.52 0.97 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.881 -179.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -56.67 -51.21 69.64 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.218 -177.871 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' H ' HD12 ' A' ' 49' ' ' LEU . 10.0 mp -68.99 -33.49 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.493 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -57.86 -46.34 84.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.858 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.583 ' CG ' ' HZ3' ' A' ' 18' ' ' LYS . 13.6 m170 -59.12 -45.03 91.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.96 -53.24 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.919 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -60.44 -51.58 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.004 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.14 -52.74 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.743 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -55.51 -41.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.439 -179.388 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -61.41 -32.93 72.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.339 -179.627 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.8 m-70 -113.27 19.58 16.93 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.578 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.556 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.3 ptm180 -53.08 -34.43 56.55 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.379 0.609 . . . . 0.0 110.41 179.007 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -55.91 -34.56 65.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.266 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.775 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptt? -55.58 -28.25 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.393 -178.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.556 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.0 p -61.81 -28.99 69.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.697 0.284 . . . . 0.0 111.764 -178.627 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.38 -12.48 60.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.067 -179.27 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 45.7 mtpt -86.7 16.24 4.93 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.775 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.42 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.018 0.437 . . . . 0.0 110.064 178.001 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mttm 51.69 2.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.329 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.643 ' H ' ' C ' ' A' ' 64' ' ' TRP . 13.1 p -88.59 163.6 15.77 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.702 178.584 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -96.1 -63.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -178.064 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.06 -35.17 79.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.792 -177.793 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -65.69 -45.68 81.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.989 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 66' ' ' SER . 55.5 mt -60.69 -39.77 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.491 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 78.4 mt -57.8 -39.67 78.1 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.646 179.495 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.24 -46.49 90.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.432 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.9 mmtt -61.55 -53.62 53.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.556 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -57.79 -36.99 72.93 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.366 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 71' ' ' LEU . 2.1 m120 -58.92 -43.42 91.12 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.778 179.742 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -63.72 -39.78 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.611 ' O ' ' N ' ' A' ' 81' ' ' ASP . 73.8 mt-30 -73.89 -36.17 64.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.29 0.567 . . . . 0.0 110.304 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.52 ' CZ2' ' OE1' ' A' ' 46' ' ' GLN . 3.9 t-105 -54.38 -45.65 72.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.692 179.823 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -74.75 -34.4 62.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.411 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -91.22 -73.25 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 77' ' ' GLN . 28.5 t70 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.865 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -64.95 143.86 80.7 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 123.157 2.571 . . . . 0.0 112.827 -179.704 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.7 mt -140.23 -115.17 0.14 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.977 0.417 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.76 -133.93 34.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 p -85.59 4.85 34.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.563 0.22 . . . . 0.0 111.234 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 54.9 mtt -71.35 146.09 49.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.171 0.51 . . . . 0.0 112.23 -178.318 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 6' ' ' MET . 2.1 t-20 87.34 143.52 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.877 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.19 164.69 18.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.565 -179.148 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -75.72 155.61 35.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.401 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 70.7 p -86.19 158.53 19.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.536 -179.623 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -52.86 -38.64 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.774 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.9 m-20 -65.5 -49.7 68.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.326 0.584 . . . . 0.0 110.491 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 98.5 mt-10 -65.14 -35.39 80.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.034 179.006 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.462 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 6.8 t-105 -63.56 -45.66 89.49 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -56.35 -38.44 71.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.48 0.657 . . . . 0.0 109.812 179.36 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.731 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.86 -42.07 99.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.07 -38.13 85.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.813 178.829 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 31.0 mttt -61.3 -44.95 96.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 179.596 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.71 -41.87 91.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.038 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -63.14 -41.35 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.165 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -66.96 -44.17 81.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 18' ' ' LYS . 93.3 mt -57.65 -51.89 64.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLU . 50.1 m -53.79 -34.76 60.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.071 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.4 -35.69 82.56 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.3 mm -73.31 -32.68 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.21 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.576 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.39 -28.1 25.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.76 179.793 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 23' ' ' SER . 48.3 tp10 -75.16 -33.39 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.692 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -97.42 164.85 12.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.249 179.355 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -61.06 -19.99 62.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.297 179.575 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -47.99 -16.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.268 -178.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 9.9 pttm -58.88 -33.53 70.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.634 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 94.8 m-20 -64.72 -41.0 96.3 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.103 179.196 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.0 mt -60.39 -36.44 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.501 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.34 -49.51 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.018 -179.88 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.605 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -62.76 -38.84 92.15 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.014 -179.693 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -63.62 -46.38 85.99 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.447 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HB3' ' OE1' ' A' ' 46' ' ' GLN . 9.6 tt -63.35 -39.03 93.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.786 179.429 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.605 ' O ' ' O ' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -95.55 170.1 9.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.595 179.872 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 39' ' ' ASN . 30.9 p30 -95.25 -157.21 0.56 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.305 -179.424 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.568 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 1.4 m -41.3 97.3 0.01 OUTLIER 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.947 -179.733 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.568 ' CG ' ' O ' ' A' ' 40' ' ' SER . 11.0 m-20 -175.86 139.0 0.53 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.513 179.896 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.478 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 58.5 Cg_endo -74.34 -82.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.088 1.859 . . . . 0.0 111.513 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.678 ' C ' ' H ' ' A' ' 45' ' ' ASN . 38.7 mm -92.87 -85.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.9 179.282 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 62.97 -33.53 0.11 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.771 0.32 . . . . 0.0 110.85 179.332 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.678 ' H ' ' C ' ' A' ' 43' ' ' ILE . 1.3 m-80 50.14 16.4 0.25 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.672 179.874 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' HA ' ' CE ' ' A' ' 44' ' ' MET . 19.0 mt-30 60.53 45.02 11.11 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.333 178.874 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 1.8 mt -43.19 -53.84 4.83 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.93 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.76 -54.78 42.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.27 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.494 HD11 ' H ' ' A' ' 49' ' ' LEU . 4.7 mp -68.28 -40.69 81.75 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.787 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 4.4 tt -59.64 -44.79 93.37 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 18.7 m170 -58.19 -50.68 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.628 -179.444 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -61.36 -45.37 94.68 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.955 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CZ3' ' HG ' ' A' ' 74' ' ' LEU . 51.2 t90 -56.77 -55.26 36.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.592 0.711 . . . . 0.0 109.73 179.36 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.47 -49.56 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.525 -179.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -56.3 -42.04 76.92 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.98 -179.815 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.472 HH21 ' HE2' ' A' ' 57' ' ' HIS . 23.7 ttp-105 -62.12 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.024 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.515 ' O ' ' SD ' ' A' ' 60' ' ' MET . 34.1 m-70 -114.89 19.18 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.996 -178.482 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 15.1 ptm180 -53.46 -34.43 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 111.493 179.839 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.43 -32.04 64.49 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.587 -179.077 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 8.6 ptt? -57.84 -29.99 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 p -60.19 -30.0 69.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -178.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -75.67 -13.91 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.074 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.1 -59.68 2.26 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.716 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -79.71 -37.74 34.96 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.647 -179.381 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.7 tttm 60.39 -16.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.659 ' H ' ' C ' ' A' ' 64' ' ' TRP . 11.1 p -92.66 129.97 38.43 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.224 179.355 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.783 -178.55 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.34 -38.95 91.49 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.552 ' CG ' ' HG ' ' A' ' 66' ' ' SER . 84.2 m-20 -64.33 -44.6 91.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.298 -179.088 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.482 HG12 ' CD1' ' A' ' 64' ' ' TRP . 56.4 mt -60.0 -44.97 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.627 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 75.5 mt -55.18 -40.22 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.4 -179.767 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.82 -44.55 93.96 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.724 179.148 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.579 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 3.1 mptp? -65.55 -49.44 68.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.7 mp -58.81 -36.19 74.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.783 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.473 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 68.2 m-20 -56.57 -47.86 78.62 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.328 179.004 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -70.35 -41.2 73.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.368 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.579 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 3.7 mp0 -70.11 -44.29 69.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.992 -179.45 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -54.97 -42.4 72.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.351 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -68.82 -37.16 79.01 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.017 0.437 . . . . 0.0 110.23 179.17 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -81.88 -7.27 59.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.321 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' GLN . 20.8 t70 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.393 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -60.74 146.61 97.02 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.64 2.227 . . . . 0.0 112.101 -179.86 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.05 -10.69 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.246 0.546 . . . . 0.0 109.599 179.361 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' O ' ' OG ' ' A' ' 5' ' ' SER . . . 67.53 21.37 72.57 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.592 ' C ' ' H ' ' A' ' 7' ' ' ASN . 78.1 p 49.93 21.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.97 12.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 -179.242 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' A' ' 5' ' ' SER . 20.9 p-10 -59.34 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.005 179.752 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -91.93 158.91 16.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 179.404 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -77.11 149.08 35.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.909 0.385 . . . . 0.0 110.948 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.8 p -83.1 160.86 21.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.659 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -52.95 -43.16 66.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -178.724 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.74 -42.94 81.03 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.814 -179.733 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.6 -40.3 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.412 0.625 . . . . 0.0 109.578 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.473 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 5.1 t-105 -63.15 -46.49 86.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.511 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 2.0 m120 -56.31 -38.43 71.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 179.505 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -63.64 -43.72 95.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.433 HD21 ' CZ3' ' A' ' 14' ' ' TRP . 57.0 tp -62.0 -38.51 88.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.912 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.738 ' HZ3' ' CG ' ' A' ' 51' ' ' HIS . 26.5 mttt -59.91 -45.36 92.79 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.622 179.787 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.518 ' N ' ' CD ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -60.66 -41.99 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.661 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.46 -43.82 96.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.462 ' CE2' HD12 ' A' ' 54' ' ' LEU . 4.8 m-30 -64.46 -46.89 81.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.931 179.325 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 ' NE2' ' A' ' 19' ' ' GLN . 61.8 mt -57.77 -46.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.29 178.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -55.75 -44.95 78.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.294 179.554 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.99 86.01 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.461 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 5.3 mm -72.58 -35.01 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.433 -179.41 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.571 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.27 -25.49 23.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.103 0.478 . . . . 0.0 111.15 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -72.85 -37.34 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.486 179.135 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.496 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 48.4 p30 -84.79 157.54 20.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.541 . . . . 0.0 111.618 -179.413 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.92 -23.76 67.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.679 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.413 HE22 ' HB3' ' A' ' 75' ' ' ASN . 24.4 mt-30 -61.01 -11.88 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.377 -178.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.506 ' HD3' ' H ' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -52.21 -23.96 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.808 -179.319 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' H ' ' HD3' ' A' ' 31' ' ' LYS . 51.2 t0 -57.45 -38.8 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.401 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.16 -39.37 86.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.376 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 35' ' ' ALA . 3.8 p -66.45 -33.95 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.987 -179.694 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.576 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -65.3 -38.67 90.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.086 0.469 . . . . 0.0 109.844 179.896 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -52.29 -43.43 64.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.425 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.19 -55.44 21.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.697 179.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.647 ' O ' ' O ' ' A' ' 39' ' ' ASN . 35.2 m -125.24 118.85 26.9 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.346 -179.451 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.647 ' O ' ' O ' ' A' ' 38' ' ' THR . 81.4 m-20 11.62 -136.89 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.056 179.294 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.516 ' O ' ' C ' ' A' ' 41' ' ' ASP . 46.9 m -85.45 15.41 4.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.813 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' A' ' 45' ' ' ASN . 13.1 t0 -30.4 95.62 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.59 -179.756 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.479 ' N ' ' O ' ' A' ' 40' ' ' SER . 61.2 Cg_endo -82.9 -58.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.09 1.86 . . . . 0.0 111.475 179.223 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.556 ' C ' HD21 ' A' ' 45' ' ' ASN . 14.2 pt -107.18 -17.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.068 -179.783 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -62.97 -31.65 72.81 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.509 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.645 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 4.4 m-80 30.22 38.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.21 179.434 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.612 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 56.96 55.11 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 179.324 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 68.6 mt -42.25 -50.95 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.383 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -59.4 -57.59 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.163 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.99 -40.99 95.77 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.367 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 50' ' ' LEU . 5.4 tt -58.69 -43.69 90.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 -178.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CG ' ' HZ3' ' A' ' 18' ' ' LYS . 26.1 m170 -60.63 -47.61 85.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.316 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -58.77 -48.15 82.22 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.783 179.784 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -56.94 -57.46 12.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' ARG . 10.3 tp -57.64 -51.8 68.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.14 -178.606 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.28 -43.58 71.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -178.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.817 HH21 ' HE2' ' A' ' 57' ' ' HIS . 36.8 ttp180 -64.74 -31.44 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 179.439 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.817 ' HE2' HH21 ' A' ' 56' ' ' ARG . 84.4 m-70 -107.55 15.53 24.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.324 -179.604 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.684 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -55.4 -34.13 64.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 110.914 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.03 -32.67 66.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.397 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptm -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.33 -179.482 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.3 p -62.35 -27.43 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.757 -178.179 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -71.88 -12.88 61.48 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.472 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.63 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.2 mmtt -84.88 19.15 2.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.766 0.317 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -166.84 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 111.117 178.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 tttm 59.78 -1.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.516 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.641 ' H ' ' C ' ' A' ' 64' ' ' TRP . 70.6 p -85.88 -149.02 0.13 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.24 178.549 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -139.79 -61.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.358 -0.537 . . . . 0.0 112.152 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.8 -36.11 78.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.922 -178.033 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 67.4 m-20 -63.02 -49.47 74.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 -179.363 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.553 HG12 ' CD1' ' A' ' 64' ' ' TRP . 30.0 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.555 -179.322 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.2 mt -53.83 -41.26 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.807 179.344 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -58.93 -44.74 91.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.182 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.507 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -64.9 -51.41 62.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.747 -179.514 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD21 ' CE2' ' A' ' 21' ' ' PHE . 7.6 mp -59.21 -36.44 75.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.413 ' HB3' HE22 ' A' ' 30' ' ' GLN . 88.1 m-20 -56.54 -50.57 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.294 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.515 ' CG ' ' HZ3' ' A' ' 80' ' ' LYS . 35.0 tp10 -64.36 -38.55 91.42 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.919 179.646 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.602 ' O ' ' N ' ' A' ' 81' ' ' ASP . 9.0 tp-100 -70.42 -41.85 72.4 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.391 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -54.62 -39.62 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -68.27 -40.54 81.82 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.402 178.8 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.515 ' HZ3' ' CG ' ' A' ' 76' ' ' GLU . 10.5 mtmt -89.39 -1.05 57.92 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 77' ' ' GLN . 18.1 t70 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.408 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.675 ' O ' ' N ' ' A' ' 4' ' ' GLY . 29.8 Cg_exo -55.93 145.74 72.01 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.042 2.495 . . . . 0.0 112.118 -179.834 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.1 tp 56.02 -73.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 104.67 176.82 24.89 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.998 179.358 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 m -81.92 25.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.045 0.45 . . . . 0.0 110.299 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.646 ' O ' ' O ' ' A' ' 7' ' ' ASN . 60.4 mtt -50.72 -40.85 55.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.974 179.61 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' O ' ' A' ' 6' ' ' MET . 9.4 t-20 36.54 108.1 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.983 178.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 9.1 mtpm? -68.43 172.85 5.5 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.713 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -77.71 140.2 39.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 112.036 -178.61 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 p -86.91 162.64 17.6 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.451 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.16 -41.76 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.477 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 75.9 m-20 -63.01 -44.73 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.276 179.62 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -67.0 -38.58 86.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.406 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.478 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -60.91 -47.51 86.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.69 179.529 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -54.66 -40.36 68.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.522 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.671 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -65.2 -44.55 88.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.732 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 tp -60.03 -41.17 91.64 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.8 mttt -57.44 -46.49 83.52 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.458 179.535 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -58.74 -41.14 85.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.67 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.72 -45.71 88.99 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 109.898 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 54' ' ' LEU . 5.5 m-30 -64.92 -46.74 80.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.179 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 18' ' ' LYS . 80.7 mt -58.8 -46.01 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.606 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -56.76 -45.53 82.01 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.038 179.62 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.97 81.0 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.727 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.447 HG22 HD12 ' A' ' 25' ' ' ILE . 31.9 mm -70.71 -40.71 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 121.344 -0.142 . . . . 0.0 111.295 -179.769 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.607 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -82.51 -30.15 30.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 109.945 179.548 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.58 ' OE1' ' OD1' ' A' ' 28' ' ' ASN . 8.2 tm-20 -74.03 -45.48 49.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.632 179.522 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.58 ' OD1' ' OE1' ' A' ' 27' ' ' GLU . 88.6 m-20 -86.88 160.28 18.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.582 0.706 . . . . 0.0 111.808 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.605 ' C ' ' H ' ' A' ' 31' ' ' LYS . 81.6 tt0 -59.26 -26.08 64.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.334 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -49.44 -8.71 0.03 OUTLIER 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 109.808 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.605 ' H ' ' C ' ' A' ' 29' ' ' GLU . 78.0 tttt -55.99 -39.41 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.313 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.41 -32.55 71.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.149 0.5 . . . . 0.0 110.196 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -67.93 -43.12 79.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.793 -179.517 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 35' ' ' ALA . 7.6 p -62.12 -33.27 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.632 179.745 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' HG12 ' A' ' 34' ' ' VAL . . . -65.07 -48.5 73.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.389 178.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -60.52 -38.52 84.65 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.111 178.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.37 -36.98 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 m -124.95 -85.85 0.63 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.091 0.472 . . . . 0.0 110.179 179.293 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -178.38 -121.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.382 179.56 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -73.62 108.32 6.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.196 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.687 ' OD2' ' N ' ' A' ' 45' ' ' ASN . 7.1 t0 -152.4 113.23 2.83 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.005 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.481 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 78.6 Cg_endo -87.06 -66.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.711 2.274 . . . . 0.0 112.215 178.194 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 72.2 mt -108.36 -31.08 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.886 -179.153 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.457 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 26.7 ttt -50.43 -37.43 37.96 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.322 -178.531 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.687 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 1.5 m120 45.13 43.62 7.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.295 179.4 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 14.9 pt20 51.12 53.52 12.83 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.138 0.494 . . . . 0.0 110.886 -179.334 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.641 ' CD2' ' HE2' ' A' ' 51' ' ' HIS . 4.7 mt -46.06 -52.15 12.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.024 -179.668 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -57.25 -53.89 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.56 -178.406 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.15 -40.55 94.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.037 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.2 -45.1 88.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.866 -178.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.641 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 17.8 m170 -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.777 179.82 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -61.17 -49.99 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -57.98 -55.79 30.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.516 0.674 . . . . 0.0 110.966 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.4 tp -54.96 -50.38 69.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.118 -178.509 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.77 -43.89 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.833 -179.261 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.77 -31.9 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.583 ' O ' ' CG ' ' A' ' 60' ' ' MET . 97.8 m-70 -109.43 14.39 23.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.648 -178.689 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.551 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.672 0.272 . . . . 0.0 111.283 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 61.4 t0 -60.03 -31.7 70.2 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.5 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.0 ppp? -56.51 -26.79 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.0 p -62.36 -28.28 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.205 -179.521 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.4 mt-10 -75.16 -13.07 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.517 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.2 mmtp -85.63 24.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.021 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.717 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.56 -34.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.039 177.349 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mttm 54.54 6.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.304 0.573 . . . . 0.0 110.038 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.581 ' H ' ' C ' ' A' ' 64' ' ' TRP . 24.5 p -91.42 176.8 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.784 179.056 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -111.18 -63.34 1.42 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.56 -37.56 81.7 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.754 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 15.8 t0 -63.02 -45.28 93.11 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.545 ' CD1' ' O ' ' A' ' 66' ' ' SER . 89.8 mt -59.6 -45.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.772 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.71 -40.76 66.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.203 0.525 . . . . 0.0 109.973 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.54 -46.67 88.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 12.8 mmtt -59.09 -52.55 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.655 -179.362 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 78' ' ' TRP . 6.7 mp -57.64 -39.0 76.01 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.866 -179.484 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.529 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 3.0 m120 -56.3 -47.25 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.188 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.57 -39.94 95.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.467 . . . . 0.0 110.523 179.152 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 81' ' ' ASP . 3.0 mm-40 -74.13 -36.32 64.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.366 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 74' ' ' LEU . 4.1 t-105 -56.31 -38.64 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.231 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.542 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.9 OUTLIER -60.12 -40.43 89.68 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.0 -179.661 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -94.39 -7.08 42.63 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.778 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 77' ' ' GLN . 25.1 t70 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' HG2' ' H ' ' A' ' 3' ' ' LEU . 59.0 Cg_endo -78.77 -75.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 122.937 2.425 . . . . 0.0 111.502 179.863 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' H ' ' HG2' ' A' ' 2' ' ' PRO . 37.8 mt -96.1 142.6 28.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.78 179.439 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.9 -158.61 7.89 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.609 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -68.79 -2.97 10.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.205 0.526 . . . . 0.0 109.622 179.604 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 6' ' ' MET . 5.6 mmt -60.02 -33.4 71.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.601 179.577 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -100.18 154.57 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -72.2 -177.24 2.04 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.15 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.7 145.15 29.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.247 0.546 . . . . 0.0 111.674 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 44.4 p -85.64 162.62 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.602 179.373 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.31 -38.8 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.35 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.599 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 93.9 m-20 -64.53 -46.54 82.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.638 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.497 ' H ' ' HG1' ' A' ' 10' ' ' THR . 71.3 mm-40 -65.28 -38.32 89.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.824 178.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.418 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 3.4 t-105 -62.76 -47.87 81.66 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.461 -179.534 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.593 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 86.9 m-20 -55.54 -41.63 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.599 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -64.89 -42.07 95.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.27 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.86 -38.15 78.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HZ3' ' CG ' ' A' ' 51' ' ' HIS . 28.6 mttt -60.03 -44.1 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.275 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.593 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.5 mp0 -61.36 -43.16 99.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.164 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -60.69 -38.57 85.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -70.47 -50.53 37.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.117 0.484 . . . . 0.0 110.11 179.452 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.465 HD13 HE21 ' A' ' 19' ' ' GLN . 56.2 mt -57.53 -43.19 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.025 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.6 -43.07 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.413 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.06 -30.98 74.98 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.079 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.6 mm -71.99 -47.95 52.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.845 0.355 . . . . 0.0 110.128 179.4 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.607 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.88 -30.13 62.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.221 179.37 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 5.2 tm-20 -72.67 -38.81 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.586 179.837 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -86.16 150.05 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 31' ' ' LYS . 54.9 tp10 -54.54 -29.64 51.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.265 179.503 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.07 -7.85 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' A' ' 29' ' ' GLU . 14.9 pttm -53.68 -37.5 63.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.178 -179.492 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.36 -32.93 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.22 0.533 . . . . 0.0 109.816 178.195 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.86 -47.65 84.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' HE21 ' A' ' 46' ' ' GLN . 9.9 p -67.94 -28.17 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.968 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.707 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -61.62 -41.07 96.94 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.212 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.7 -43.76 97.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.774 179.228 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD21 ' NE2' ' A' ' 46' ' ' GLN . 8.7 tt -64.22 -39.9 94.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.049 179.472 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.95 11.67 31.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.512 -179.65 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.707 ' N ' ' O ' ' A' ' 35' ' ' ALA . 0.3 OUTLIER 58.44 -97.56 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.369 -179.125 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 34.1 t -110.15 125.75 53.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.182 179.816 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.554 ' CG ' ' O ' ' A' ' 40' ' ' SER . 6.5 m-20 -172.54 134.07 0.74 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.432 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 58.8 Cg_endo -74.97 -87.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.386 2.058 . . . . 0.0 112.455 179.447 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' A' ' 44' ' ' MET . 67.2 mt -97.55 -27.87 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.761 179.765 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -37.24 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.271 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 25.3 m120 60.48 48.54 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.464 178.274 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.67 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 60.52 45.35 10.76 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.594 0.559 . . . . 0.0 112.273 179.072 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 83.4 mt -48.81 -48.35 41.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.05 179.526 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.76 -52.68 64.68 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.076 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.48 -40.31 92.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.963 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -59.22 -43.04 92.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 -179.012 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 21.4 m170 -58.76 -49.44 77.64 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.287 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -61.3 -47.8 84.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.026 -179.694 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -55.48 -54.17 47.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.898 0.856 . . . . 0.0 110.081 179.42 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 tp -55.39 -48.38 74.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.778 -179.031 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -56.72 -40.94 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.052 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 56' ' ' ARG . 43.6 ttt85 -63.59 -29.89 71.08 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' MET . 93.2 m-70 -107.4 17.63 22.55 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.309 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.632 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 ptm180 -55.93 -35.05 66.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.476 -179.663 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -53.74 -28.26 33.25 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.739 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.6 ptm -54.65 -34.7 62.57 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.504 179.268 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.632 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.8 p -68.2 -31.42 70.94 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.798 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.15 -28.08 65.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -84.06 -82.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.342 179.097 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.73 ' C ' ' H ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -91.86 52.95 2.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.12 179.24 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 61' ' ' CYS . 1.7 pttm -45.97 9.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -179.26 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 64' ' ' TRP . 3.1 p -75.55 165.24 25.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.099 0.476 . . . . 0.0 110.943 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttm -91.62 -68.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.431 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -62.83 -38.63 91.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 52.9 m-20 -61.57 -45.12 95.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.156 -179.561 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.633 ' CD1' ' O ' ' A' ' 66' ' ' SER . 61.0 mt -61.02 -42.48 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.423 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 22.0 mt -55.02 -39.48 69.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.954 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -62.09 -46.17 90.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.176 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.483 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 23.9 mmtm -59.64 -52.95 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 70' ' ' ILE . 6.4 mp -54.49 -40.88 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.158 -179.273 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -55.14 -44.64 75.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.38 -42.02 93.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.838 0.352 . . . . 0.0 111.433 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -73.27 -31.72 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.297 178.746 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -56.82 -41.48 77.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.34 -41.45 89.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.539 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.611 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 48.4 tttp -61.38 -40.52 94.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.304 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.611 ' OXT' ' O ' ' A' ' 80' ' ' LYS . 1.8 t70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.101 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -59.83 148.3 88.91 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.526 2.151 . . . . 0.0 111.591 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.487 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 3.1 mp -87.4 143.06 27.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.067 0.461 . . . . 0.0 111.244 -179.331 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 6' ' ' MET . . . -158.46 30.0 0.46 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.493 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 5' ' ' SER . 14.1 t 38.6 28.47 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.912 0.386 . . . . 0.0 110.417 -179.814 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 4' ' ' GLY . 9.1 ptt? -106.99 19.52 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.858 -179.634 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -95.8 -153.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 0.0 111.476 -179.114 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HD3' ' NH1' ' A' ' 58' ' ' ARG . 31.7 mttt -63.34 177.96 0.59 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.544 -179.903 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -80.64 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.385 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.7 p -84.94 161.78 19.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.704 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.592 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 90.3 m-20 -54.51 -43.4 71.84 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.729 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 86.7 m-20 -62.7 -48.03 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.13 -38.57 91.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.321 0.581 . . . . 0.0 109.924 179.288 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 3.2 t-105 -61.43 -45.8 92.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.763 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 80.6 m-20 -57.4 -41.07 79.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.33 -179.839 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.729 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -62.56 -42.65 99.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.843 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.01 -38.41 85.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.028 179.25 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 19.1 mttm -60.23 -46.74 88.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.307 179.209 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.566 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -60.89 -43.23 98.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.829 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.92 -42.65 94.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.431 ' CZ ' HG23 ' A' ' 70' ' ' ILE . 4.9 m-30 -68.15 -48.09 66.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.447 0.642 . . . . 0.0 110.254 179.606 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -58.42 -50.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.555 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 16.9 m -56.16 -39.34 72.18 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.467 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.43 -31.61 81.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.0 mm -69.94 -35.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.589 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -90.4 -24.98 20.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.017 -179.785 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 23' ' ' SER . 71.6 mm-40 -77.29 -37.08 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.097 0.475 . . . . 0.0 109.827 178.112 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -90.85 165.02 13.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.825 179.731 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.11 -24.72 56.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.386 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -49.67 -16.97 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -179.338 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 31.2 pttt -55.77 -38.49 69.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.742 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 71.2 m-20 -63.75 -37.81 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.562 HD13 ' H ' ' A' ' 33' ' ' LEU . 10.2 mp -61.33 -43.68 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -179.118 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.3 p -75.7 -26.84 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.31 91.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -57.53 -36.35 71.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.459 -179.667 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' CD1' ' OE1' ' A' ' 46' ' ' GLN . 8.8 tt -64.86 -37.61 88.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 0.0 110.416 179.775 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.5 p -94.12 161.99 14.05 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.82 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -83.12 -89.42 0.09 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.996 0.427 . . . . 0.0 111.074 -179.382 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.0 t -98.6 -16.88 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.663 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.34 118.8 4.03 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.58 -65.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.363 2.042 . . . . 0.0 112.565 -178.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.787 ' O ' ' N ' ' A' ' 45' ' ' ASN . 95.4 mt -89.86 -79.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.407 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.446 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 14.3 tpt 42.02 -64.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 179.47 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.787 ' N ' ' O ' ' A' ' 43' ' ' ILE . 28.9 m120 66.36 17.87 10.77 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.753 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 50' ' ' LEU . 46.9 mt-30 65.6 38.25 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.472 -179.487 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 26.1 mt -39.23 -53.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.344 -179.831 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.0 -59.36 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.341 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.16 -39.22 78.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 46' ' ' GLN . 3.0 tt -58.8 -43.42 90.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.6 m-70 -57.58 -47.47 82.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -59.84 -47.36 86.03 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.269 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -58.17 -56.11 26.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.689 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.69 -49.45 72.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.179 -178.427 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.66 -45.25 89.79 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.148 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 56' ' ' ARG . 12.5 ttm180 -65.08 -32.47 74.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.581 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -109.61 16.95 21.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.051 -179.344 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.66 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.8 ptm180 -51.68 -33.35 33.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.553 179.827 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -54.61 -34.33 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.587 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.67 -30.15 65.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.274 -179.123 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -62.28 -28.41 69.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.927 -179.392 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -74.5 -12.7 60.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.518 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.524 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 2.6 mtmt -84.06 22.29 1.21 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.633 0.254 . . . . 0.0 111.218 -178.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.068 178.319 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 75.5 -18.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 64' ' ' TRP . 42.8 p -88.36 141.67 28.35 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.558 179.825 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' HZ3' HD12 ' A' ' 71' ' ' LEU . 59.1 tttm -62.14 -53.4 55.98 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.381 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.97 -38.46 86.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -177.349 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 97.4 m-20 -62.63 -50.08 72.65 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.803 -179.276 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.528 HG12 ' CD1' ' A' ' 64' ' ' TRP . 28.3 mt -56.72 -46.29 83.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.656 -179.238 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 HD12 ' HZ3' ' A' ' 67' ' ' LYS . 61.5 mt -57.78 -42.53 84.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.394 -178.713 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.557 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 84.7 t60 -58.94 -45.09 91.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.998 0.428 . . . . 0.0 110.56 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 18.5 mmtt -63.14 -51.18 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.455 -179.777 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.45 -37.99 76.57 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.841 179.773 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.556 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 7.4 m120 -53.94 -51.93 62.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.452 -179.472 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.9 mp0 -67.97 -35.8 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.789 179.268 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.33 -41.74 76.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.011 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.2 -42.74 81.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.438 178.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.725 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.8 OUTLIER -61.84 -38.36 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.136 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -83.25 -1.64 53.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.599 179.239 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 65.3 t0 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.671 ' C ' ' H ' ' A' ' 4' ' ' GLY . 36.6 Cg_endo -72.62 -4.61 15.63 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.645 2.23 . . . . 0.0 111.889 179.875 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 tp 65.46 -21.02 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.486 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.671 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . 57.15 -129.4 49.41 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 18.78 19.49 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.751 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 17.8 mmt -57.1 124.03 17.3 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.206 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -171.31 56.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.523 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -72.99 178.04 4.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.288 -179.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -76.39 153.75 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.488 ' HG1' ' H ' ' A' ' 13' ' ' GLU . 68.6 p -85.73 158.72 19.96 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.39 -40.32 68.07 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.143 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -65.99 -47.27 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.488 ' H ' ' HG1' ' A' ' 10' ' ' THR . 88.5 mt-10 -63.94 -39.08 93.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.391 0.615 . . . . 0.0 109.649 179.13 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -63.11 -47.31 83.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.398 179.747 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.609 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.8 m120 -57.8 -38.5 75.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.016 178.663 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -62.22 -44.03 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.025 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.47 -39.33 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.62 179.397 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' HG13 ' A' ' 22' ' ' ILE . 25.3 mttt -59.87 -46.64 88.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.676 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.609 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -60.29 -41.35 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.722 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.03 -45.49 93.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 -179.628 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.955 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 18' ' ' LYS . 91.9 mt -57.99 -49.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.995 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 m -56.04 -38.66 70.87 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.11 -33.95 81.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.765 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.582 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 17.3 mm -71.23 -46.82 63.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.761 0.315 . . . . 0.0 110.685 179.683 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -69.49 -26.05 64.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 109.388 179.263 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -74.41 -29.29 61.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.325 178.596 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.582 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 52.5 p30 -109.34 154.57 22.34 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 112.188 -179.234 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -63.8 -20.97 66.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.661 179.261 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.504 HE22 ' CG ' ' A' ' 75' ' ' ASN . 97.5 mt-30 -47.94 -23.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -178.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -49.13 -21.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.235 0.54 . . . . 0.0 110.511 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.12 -40.22 73.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.403 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.22 -35.67 77.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.689 -179.528 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -66.3 -37.5 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.867 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.641 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -62.43 -38.99 91.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.953 179.539 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -60.22 -44.29 95.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.246 0.546 . . . . 0.0 109.539 179.307 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 tt -71.81 -37.66 70.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.537 -179.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.641 ' O ' ' O ' ' A' ' 35' ' ' ALA . 21.9 m -114.17 143.77 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 112.167 -178.916 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -38.55 -29.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.443 178.872 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.701 ' OG ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER 179.64 -95.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.591 179.06 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.701 ' N ' ' OG ' ' A' ' 40' ' ' SER . 2.6 m-20 51.24 84.78 0.2 Allowed Pre-proline 0 N--CA 1.463 0.198 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.398 -179.759 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -74.56 -54.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.299 -2.045 0 C-N-CA 121.964 1.776 . . . . 0.0 112.654 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.671 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 81.1 mt -87.91 -28.33 5.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.398 -178.332 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.489 ' SD ' ' OD2' ' A' ' 41' ' ' ASP . 22.7 ttt -59.65 -37.29 78.29 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.957 179.48 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.671 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 48.9 m-80 54.67 37.25 27.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 9.0 pt20 49.56 47.92 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.716 0.769 . . . . 0.0 110.022 -178.844 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.552 ' CD2' ' HE2' ' A' ' 51' ' ' HIS . 3.6 mt -42.16 -48.62 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.202 -179.666 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -56.82 -52.25 65.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.601 -177.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.661 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.3 mm? -69.99 -38.54 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.355 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -44.87 91.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 -178.699 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.552 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 12.1 m170 -60.78 -51.18 70.45 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.016 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.34 -45.34 93.79 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.443 -179.776 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -56.55 -57.74 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.784 179.422 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.85 -49.49 73.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 -179.339 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.78 -41.16 73.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -65.34 -32.27 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.853 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.613 ' O ' ' CG ' ' A' ' 60' ' ' MET . 89.4 m-70 -111.71 16.01 20.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.275 -178.923 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.598 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.4 ptm180 -49.62 -34.36 17.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.796 0.331 . . . . 0.0 111.442 179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.72 -30.16 55.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.381 0.61 . . . . 0.0 110.415 -179.44 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.733 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.47 -32.15 66.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.291 179.312 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.0 p -66.91 -31.62 72.33 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 109.903 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 75.6 mm-40 -68.88 -26.5 65.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.059 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -77.72 -47.29 19.45 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.875 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.733 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -139.56 57.39 1.64 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.043 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 61' ' ' CYS . 21.0 pttm -50.73 17.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.113 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.715 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.9 p -77.14 158.15 30.58 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.024 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -82.13 -66.84 0.84 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.13 -39.08 91.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.48 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.36 -178.351 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 64' ' ' TRP . 78.2 mt -60.55 -40.71 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.967 -179.659 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.4 mt -55.52 -41.81 73.64 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -62.16 -44.83 95.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.849 179.524 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 13.0 mmtt -60.71 -52.69 64.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.677 -179.646 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 78' ' ' TRP . 9.2 mp -56.9 -37.43 71.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.268 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.504 ' CG ' HE22 ' A' ' 30' ' ' GLN . 87.2 m-20 -57.52 -44.58 85.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.517 179.367 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -66.36 -39.39 89.11 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.775 178.481 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.09 -35.96 74.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.524 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.4 t-105 -55.71 -43.24 76.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.172 179.266 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.13 -36.99 86.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.898 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -63.93 -34.45 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.396 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.603 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 6.9 p30 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.171 -178.666 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.684 ' H1 ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.684 ' CD ' ' H1 ' ' A' ' 1' ' ' GLY . 37.2 Cg_exo -56.93 149.79 59.26 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 123.002 2.468 . . . . 0.0 112.068 179.812 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt -83.64 147.0 27.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 110.465 179.568 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.92 -167.36 37.44 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.631 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.452 ' O ' ' O ' ' A' ' 6' ' ' MET . 12.8 p -78.22 -6.3 54.48 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.506 -179.243 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.5 ptp -50.14 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.816 179.716 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 6' ' ' MET . 12.6 m-20 86.35 124.16 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.265 0.353 . . . . 0.0 110.789 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -75.06 -173.86 2.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.003 -179.533 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -77.87 150.5 34.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 37.0 p -83.02 161.18 21.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -56.64 -42.83 79.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.364 -179.038 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.675 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 74.9 m-20 -64.59 -42.27 95.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.404 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 94.1 mt-10 -67.75 -39.25 84.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.247 178.33 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -61.95 -46.87 87.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.439 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.608 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 88.0 m-20 -56.34 -41.54 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.455 179.319 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.675 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -62.6 -44.13 97.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.484 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.66 -38.72 85.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 25.5 mttt -59.48 -44.07 93.14 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.668 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.608 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -59.1 -44.06 91.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.164 -179.482 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.48 -41.82 97.85 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.565 179.547 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CE2' ' CD2' ' A' ' 74' ' ' LEU . 3.9 m-30 -65.22 -47.67 76.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.826 179.195 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.47 HD11 ' NE2' ' A' ' 19' ' ' GLN . 85.9 mt -57.88 -48.99 82.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.705 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' GLU . 68.4 m -55.67 -41.52 73.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.33 90.5 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.695 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.459 HD12 ' CZ3' ' A' ' 78' ' ' TRP . 29.0 mm -70.8 -34.61 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.276 -179.643 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.566 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -80.34 -32.87 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.324 179.812 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 23' ' ' SER . 90.2 mt-10 -74.68 -39.27 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.505 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 50.1 t-20 -83.73 153.02 24.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.63 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.573 ' C ' ' H ' ' A' ' 31' ' ' LYS . 84.3 tt0 -58.98 -25.56 63.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 91.0 mt-30 -50.26 -6.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.267 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' H ' ' C ' ' A' ' 29' ' ' GLU . 25.7 pttm -54.87 -35.49 64.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -63.58 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.035 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.637 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 88.2 mt -59.95 -46.0 90.8 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 35' ' ' ALA . 6.7 p -62.14 -31.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.269 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -64.6 -40.15 95.0 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.422 179.509 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -64.7 -40.23 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.608 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.619 ' CD1' HE22 ' A' ' 46' ' ' GLN . 8.5 tt -62.76 -41.6 99.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.469 -179.238 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.607 ' O ' ' O ' ' A' ' 35' ' ' ALA . 94.1 m -117.45 146.5 43.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.934 0.397 . . . . 0.0 111.004 -179.931 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 41' ' ' ASP . 92.0 m-20 -27.25 149.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.442 ' O ' ' OG ' ' A' ' 40' ' ' SER . 24.2 p -49.95 74.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.683 -179.056 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.652 ' N ' ' O ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -108.62 153.16 42.36 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.159 179.133 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.466 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 37.7 Cg_endo -65.01 -76.19 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.756 2.304 . . . . 0.0 110.672 179.425 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.586 ' C ' ' H ' ' A' ' 45' ' ' ASN . 1.8 pt -99.7 -97.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.391 178.384 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.542 ' HE3' ' H ' ' A' ' 47' ' ' LEU . 10.7 tpt 63.76 -38.08 0.19 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.484 178.828 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.724 HD22 ' CD2' ' A' ' 47' ' ' LEU . 9.1 p30 44.31 16.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.185 179.028 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.619 HE22 ' CD1' ' A' ' 37' ' ' LEU . 14.5 pt20 46.78 57.39 5.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.52 0.676 . . . . 0.0 109.802 -178.45 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.724 ' CD2' HD22 ' A' ' 45' ' ' ASN . 53.7 mt -42.73 -52.48 4.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.2 -179.116 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 11.8 p-10 -59.85 -52.77 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.855 -178.222 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 83.7 mt -67.01 -40.57 87.34 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.242 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -45.01 91.96 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.357 -179.248 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 25.0 m170 -59.81 -46.25 89.8 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.613 0.245 . . . . 0.0 110.73 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -58.7 -47.34 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.708 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.75 -55.02 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.519 179.567 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.445 HD13 ' CE2' ' A' ' 21' ' ' PHE . 15.2 tp -56.75 -53.39 58.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.354 -179.58 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -54.63 -45.3 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.161 -179.191 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' CZ ' ' CE1' ' A' ' 57' ' ' HIS . 6.0 ttt180 -60.3 -32.16 70.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.405 -179.618 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' A' ' 60' ' ' MET . 36.7 m-70 -112.3 23.88 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.188 -179.427 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -56.18 -35.44 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.277 0.561 . . . . 0.0 110.638 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' MET . 11.3 p30 -58.94 -27.55 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.649 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.3 ptt? -60.56 -30.22 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.082 -179.412 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.447 ' N ' ' HG2' ' A' ' 60' ' ' MET . 13.3 p -61.59 -28.03 69.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.22 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.44 -13.01 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -178.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 26.2 mttm -87.34 20.69 2.71 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.21 -50.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 110.59 177.948 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttm 67.82 -4.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.593 -178.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 64' ' ' TRP . 12.7 p -94.66 134.92 36.72 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.638 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -62.45 -55.65 25.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.277 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.44 -42.48 87.45 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.218 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' CG ' ' HG ' ' A' ' 66' ' ' SER . 2.6 m-20 -60.95 -47.79 84.8 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.169 -178.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 64' ' ' TRP . 84.7 mt -60.78 -43.1 94.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.614 -179.09 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 36.0 mt -57.97 -43.17 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.355 -178.799 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -61.01 -41.16 96.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.606 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -67.09 -49.94 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.689 179.846 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.579 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 4.6 mp -57.25 -41.81 80.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.539 179.15 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.403 ' HB3' HE22 ' A' ' 30' ' ' GLN . 1.7 m120 -56.23 -48.72 75.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.644 179.2 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.886 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' ASP . 95.8 mt-30 -70.49 -43.15 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.349 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.459 ' CZ3' HD12 ' A' ' 25' ' ' ILE . 1.3 t-105 -54.92 -45.5 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.427 . . . . 0.0 109.981 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.637 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 14.4 m120 -64.39 -38.05 89.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.499 179.301 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -86.06 -7.17 58.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.244 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 77' ' ' GLN . 26.5 m-20 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.64 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -79.4 144.5 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.9 p -83.79 161.23 21.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.64 -38.71 67.19 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.813 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.51 -47.77 77.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.943 0.402 . . . . 0.0 110.283 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.35 -37.67 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.529 0.68 . . . . 0.0 109.578 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.486 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.9 t-105 -62.95 -49.75 73.5 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -54.6 -39.11 67.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.064 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.54 -43.23 97.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 21' ' ' PHE . 26.1 tp -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.104 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.601 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 70.6 mttt -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.066 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.82 -43.54 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.625 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -59.98 -43.43 95.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.618 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 17' ' ' LEU . 3.6 m-30 -64.68 -46.92 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.407 0.622 . . . . 0.0 109.768 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.588 HG23 ' CB ' ' A' ' 45' ' ' ASN . 71.7 mt -58.42 -48.27 85.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.396 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.5 t -57.56 -42.88 83.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.48 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.66 90.42 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.78 -37.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.045 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.895 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.7 -25.18 38.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.893 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -71.16 -37.31 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.259 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -89.83 151.86 21.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -57.42 -21.32 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.196 0.522 . . . . 0.0 109.703 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.418 HE22 ' HB3' ' A' ' 75' ' ' ASN . 90.5 mt-30 -57.95 -14.04 5.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.198 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.887 ' O ' HG12 ' A' ' 34' ' ' VAL . 13.1 ptpt -52.25 -28.08 17.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.08 -34.8 68.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.62 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.3 mt -62.61 -44.72 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.987 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 31' ' ' LYS . 10.6 p -64.11 -35.86 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.024 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.31 -179.767 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.707 HD21 HD21 ' A' ' 47' ' ' LEU . 6.8 p30 . . . . . 0 CA--C 1.52 -0.175 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' OE1' HG23 ' A' ' 34' ' ' VAL . 21.5 mt-30 63.7 46.45 4.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.063 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.726 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 74.9 mt -43.6 -49.58 7.55 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.208 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 63.2 t0 -57.67 -62.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.515 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.19 -39.01 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.987 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.0 tt -59.85 -46.29 89.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.726 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.5 m-70 -58.1 -50.32 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.072 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 48' ' ' ASP . 41.0 mmtt -60.87 -45.97 92.45 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.231 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.97 -51.89 67.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.399 0.619 . . . . 0.0 110.3 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.0 tp -55.16 -50.57 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.71 -42.76 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.727 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' NE ' ' NE2' ' A' ' 57' ' ' HIS . 42.0 ttp180 -63.32 -33.11 74.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.59 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.477 ' NE2' ' NE ' ' A' ' 56' ' ' ARG . 90.9 m-70 -112.58 17.62 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.044 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.0 ptm180 -52.63 -34.11 49.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.867 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 60' ' ' MET . 24.7 p-10 -59.19 -27.29 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.613 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.713 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.76 -29.81 65.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 p -61.14 -28.29 69.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.479 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -73.24 -12.78 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.416 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.54 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 22.4 mttt -84.8 19.37 2.08 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.713 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.85 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.116 178.376 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.24 -1.23 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.028 0.442 . . . . 0.0 110.114 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.6 p -83.86 -172.97 4.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' O ' HD23 ' A' ' 71' ' ' LEU . 86.8 tttt -121.31 -64.76 1.2 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.81 -39.33 93.94 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.623 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.442 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 65.2 m-20 -62.53 -44.29 96.72 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.685 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 74' ' ' LEU . 57.1 mt -56.4 -44.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.392 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -56.48 -38.58 71.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.798 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -60.3 -45.8 92.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.027 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 3.4 mptt -63.25 -47.81 80.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.628 HD13 HG22 ' A' ' 70' ' ' ILE . 6.7 mp -58.64 -38.06 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.606 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.418 ' HB3' HE22 ' A' ' 30' ' ' GLN . 53.1 m-20 -58.41 -47.11 84.99 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.76 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.61 -37.14 85.77 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -73.11 -38.91 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.22 -42.52 86.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 75' ' ' ASN . 21.9 m120 -60.29 -41.29 93.05 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -88.04 -17.83 30.29 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.474 -0.491 . . . . 0.0 111.739 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.778 -179.604 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.0 mttt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.78 148.39 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.066 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 58.4 p -83.49 158.38 22.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.68 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -52.5 -41.31 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.473 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.27 -46.55 80.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 110.647 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.431 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 81.2 mm-40 -64.95 -36.23 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.454 ' CD1' ' NZ ' ' A' ' 18' ' ' LYS . 2.5 t-105 -63.44 -49.43 73.75 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.038 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.465 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 23.7 m120 -53.8 -40.16 66.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.731 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -65.5 -42.25 92.31 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD11 ' CE1' ' A' ' 21' ' ' PHE . 35.9 tp -61.6 -37.42 83.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.877 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 54.5 mttp -60.56 -45.33 94.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.894 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.497 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -63.13 -43.88 97.16 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.258 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.694 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 96.9 m-20 -61.87 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.965 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -66.53 -46.91 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.3 mt -57.48 -44.48 84.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.854 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 t -56.58 -42.35 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.347 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.79 91.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 21' ' ' PHE . 11.8 mm -71.29 -36.28 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.882 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.95 -27.68 30.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.2 0.524 . . . . 0.0 109.809 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 50.0 tp10 -70.01 -33.19 71.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.156 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -99.3 146.48 26.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.353 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 31' ' ' LYS . 83.4 tt0 -55.81 -22.39 24.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -49.04 -12.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.629 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 29' ' ' GLU . 6.2 ttpm? -49.06 -29.08 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.436 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.722 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 17.0 p30 -58.16 -29.93 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.722 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 71.6 mt -63.46 -37.13 86.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.54 -42.02 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.484 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.81 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.694 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 2.8 m120 . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.591 0.234 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.694 ' NE2' ' O ' ' A' ' 45' ' ' ASN . 0.8 OUTLIER 40.73 69.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 109.484 -178.488 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 47' ' ' LEU . 75.1 mt -53.11 -45.18 68.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.717 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -58.08 -50.49 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.588 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.1 mp -69.79 -39.65 76.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.143 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.0 tt -58.91 -45.05 91.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.119 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.571 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -58.93 -46.73 87.25 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -59.08 -54.4 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.616 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.74 -50.13 71.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.208 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.0 -42.79 80.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.742 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 56' ' ' ARG . 36.6 ttp-105 -63.14 -31.94 73.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.556 ' O ' ' CG ' ' A' ' 60' ' ' MET . 69.0 m-70 -109.79 17.34 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.4 ptm180 -53.42 -36.15 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 110.134 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -58.71 -33.13 69.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.764 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.2 ppp? -58.88 -31.5 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.641 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.509 ' N ' ' HG3' ' A' ' 60' ' ' MET . 7.9 p -59.23 -26.25 64.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -74.9 -13.17 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.806 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.577 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 33.2 mtpt -87.83 25.16 1.58 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.764 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.67 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.861 178.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 mttm 61.43 -6.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.633 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.611 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 96.3 p -83.13 172.87 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.694 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 9.8 tptt -99.99 -56.81 2.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 111.635 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.59 -45.49 86.73 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.419 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 18.9 m-20 -59.05 -43.79 91.72 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.101 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CD1' ' O ' ' A' ' 66' ' ' SER . 30.1 mt -59.58 -42.22 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.092 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.71 -38.96 76.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -63.06 -40.77 98.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptt -61.43 -48.05 82.92 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.836 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 70' ' ' ILE . 7.8 mp -55.27 -41.98 72.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -57.6 -44.74 85.65 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.472 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -69.54 -41.15 76.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.408 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.32 -40.96 86.01 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.569 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 1.3 t90 -57.83 -40.85 81.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -61.29 -41.2 96.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.489 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 47.7 mmtt -85.49 -5.36 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 79.5 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.854 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.976 0.417 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -78.59 139.79 38.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.287 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.0 p -83.38 162.47 21.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.465 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -55.13 -42.6 73.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.548 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.9 -45.02 95.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.015 0.436 . . . . 0.0 110.342 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.35 -39.3 85.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.852 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -62.72 -47.99 81.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.572 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 74.6 m-20 -54.69 -39.85 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.618 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -65.03 -42.31 94.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.592 HD11 ' CE1' ' A' ' 21' ' ' PHE . 43.3 tp -59.0 -38.89 80.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.291 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -60.45 -47.81 84.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.572 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 2.9 mp0 -59.9 -43.62 94.74 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.816 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -59.44 -43.73 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.3 m-30 -68.32 -46.71 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.953 0.406 . . . . 0.0 110.177 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.58 -48.8 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.817 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.2 m -55.93 -41.53 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.45 -31.1 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 21' ' ' PHE . 40.5 mm -70.71 -44.3 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.553 0.216 . . . . 0.0 111.284 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.33 -24.25 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 110.708 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -79.48 -43.04 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.464 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.523 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 25.8 p30 -84.97 162.38 19.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.063 0.459 . . . . 0.0 111.412 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 31' ' ' LYS . 37.6 tp10 -60.49 -28.47 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.534 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.678 HE22 ' HA ' ' A' ' 75' ' ' ASN . 26.4 mt-30 -49.03 -6.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.411 . . . . 0.0 110.718 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' H ' ' C ' ' A' ' 29' ' ' GLU . 53.2 tttm -58.28 -36.69 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.699 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 43.8 p-10 -61.8 -33.99 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 71.2 mt -67.96 -46.51 71.22 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.759 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.3 p -68.36 -30.31 47.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.691 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.309 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 81.2 m-20 . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.556 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 11.2 pt20 47.8 64.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.26 0.553 . . . . 0.0 111.014 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.562 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 46.8 mt -55.43 -44.28 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.78 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.47 -52.27 65.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' H ' HD12 ' A' ' 49' ' ' LEU . 6.2 mp -66.75 -40.07 88.15 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.301 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.1 tt -59.03 -45.73 89.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.007 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 24.4 m170 -58.16 -47.32 83.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.296 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -60.62 -48.97 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -57.25 -49.01 77.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.797 0.808 . . . . 0.0 109.077 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.85 -52.86 63.44 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.275 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.13 -41.54 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.64 -31.59 69.66 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.616 0.246 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.476 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.3 m-70 -114.14 23.31 13.02 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.651 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.656 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.3 ptm180 -54.14 -34.34 60.13 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.71 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.4 p30 -61.25 -29.03 69.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.031 0.443 . . . . 0.0 110.708 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.712 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.4 ptt? -56.79 -29.74 62.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 31.4 p -58.07 -28.03 64.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -76.05 -12.55 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.563 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtpp -86.16 19.85 2.53 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.712 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.44 -40.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.147 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mttp 60.77 32.19 20.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.0 p -150.59 136.32 18.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.139 0.495 . . . . 0.0 110.473 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.602 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 42.4 tttp -63.21 -52.05 63.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -60.98 -38.8 87.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -63.08 -46.11 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.777 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 64' ' ' TRP . 96.9 mt -57.9 -48.65 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.494 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.602 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 56.4 mt -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.774 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -59.09 -47.7 84.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 10.2 mmtm -63.25 -49.91 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.353 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.1 mp -58.84 -39.35 81.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.678 ' HA ' HE22 ' A' ' 30' ' ' GLN . 56.6 m-20 -52.64 -48.09 66.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.59 -40.62 88.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.408 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 81' ' ' ASP . 71.4 mt-30 -70.87 -36.18 72.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.644 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t-105 -56.43 -45.54 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.547 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -69.2 -42.3 75.95 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.64 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -82.78 2.84 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.154 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 77' ' ' GLN . 76.0 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.835 -1.078 . . . . 0.0 110.466 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -72.39 139.89 48.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' TRP . 49.6 p -85.61 164.46 17.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.908 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 64.3 m-20 -54.86 -39.85 69.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 83.7 m-20 -69.73 -42.69 73.65 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 97.9 mt-10 -66.33 -41.1 90.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 109.473 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.706 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 3.1 t-105 -64.64 -49.29 71.61 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.35 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.486 ' CG ' ' O ' ' A' ' 11' ' ' ASP . 18.5 m120 -54.43 -40.98 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.035 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 13' ' ' GLU . 14.0 mt-30 -66.34 -43.97 84.59 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.706 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 56.1 tp -57.67 -39.16 76.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.126 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 21.7 mttt -58.63 -45.95 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.877 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -60.58 -43.68 97.08 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.608 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.63 -45.25 94.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.471 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.2 m-30 -63.83 -46.81 83.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.664 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.454 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 58.3 mt -57.81 -49.49 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.576 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.707 ' HA ' HD23 ' A' ' 26' ' ' LEU . 21.4 m -55.36 -42.88 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.868 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -55.53 -36.47 64.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mm -76.27 -31.28 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -75.87 -33.08 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 110.01 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 87.1 mt-10 -78.87 -34.74 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.689 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 62.0 m-20 -78.65 164.71 24.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.273 0.559 . . . . 0.0 112.032 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -66.72 -26.62 67.09 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.737 ' NE2' ' OD1' ' A' ' 75' ' ' ASN . 29.9 mt-30 -50.48 -14.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.198 -1.365 . . . . 0.0 111.18 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.9 ttpm? -54.98 -40.07 69.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.095 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.44 -33.87 76.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 33' ' ' LEU . 16.4 tp -66.1 -43.92 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.488 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG23 ' OE1' ' A' ' 46' ' ' GLN . 7.7 p -69.4 -33.44 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.115 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.285 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.48 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 6.1 m120 . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.556 ' OE1' HG23 ' A' ' 34' ' ' VAL . 34.9 mt-30 65.1 45.33 3.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.492 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.702 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 27.2 mt -43.52 -56.94 3.37 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.364 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.11 -56.26 23.77 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 49' ' ' LEU . 77.9 mt -65.53 -41.97 92.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.34 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.6 tt -58.94 -44.69 91.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.024 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 14.1 m170 -58.07 -46.07 86.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.859 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -60.4 -49.82 76.04 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -54.64 -53.32 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.395 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.7 tp -57.83 -51.54 69.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.032 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.47 -47.92 75.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.607 0.241 . . . . 0.0 111.56 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 110.598 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.608 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -106.88 10.58 30.56 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.458 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.653 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.3 ptm180 -49.65 -35.61 21.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.131 0.491 . . . . 0.0 111.064 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.58 -34.32 64.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.486 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.698 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.94 -29.72 63.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.122 -179.098 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.8 p -59.27 -29.25 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.287 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 85.5 mt-10 -76.63 -10.88 59.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 61.2 mttp -86.29 21.61 2.02 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.698 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.37 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.449 178.234 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 61.61 46.79 6.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -149.71 118.41 6.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.187 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -50.58 -62.45 1.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.23 -40.53 90.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 15.0 t0 -62.28 -45.18 94.43 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.537 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 64' ' ' TRP . 47.8 mt -60.17 -42.62 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.703 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt -58.85 -42.52 89.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.75 -43.12 94.4 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 12.4 mmtt -59.5 -51.52 69.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.807 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 3.9 mp -57.5 -39.59 76.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.427 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.737 ' OD1' ' NE2' ' A' ' 30' ' ' GLN . 87.0 m-20 -55.58 -43.92 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.62 -42.46 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.157 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.36 -41.13 73.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.184 0.516 . . . . 0.0 110.444 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.7 t-105 -54.56 -45.42 73.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.951 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -77.55 -34.13 53.91 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.449 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -58.16 -35.64 71.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.981 0.42 . . . . 0.0 109.91 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t0 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.591 178.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE1' ' SG ' ' A' ' 61' ' ' CYS . 67.6 m-85 -86.32 145.74 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 p -87.19 159.32 18.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.68 -40.29 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.427 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.62 -45.78 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.289 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -65.55 -38.38 89.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.477 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 2.8 t-105 -63.34 -48.26 78.74 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.729 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 98.3 m-20 -55.16 -39.03 69.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.214 0.53 . . . . 0.0 109.746 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -62.8 -43.37 98.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 21' ' ' PHE . 21.8 tp -64.81 -37.41 87.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.382 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . 42.2 mttt -59.08 -45.48 90.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.703 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.688 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -64.37 -40.56 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -60.36 -46.64 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.326 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.3 m-30 -61.58 -50.35 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.582 HG23 ' ND2' ' A' ' 45' ' ' ASN . 92.8 mt -57.3 -50.59 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.953 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 8.5 t -54.42 -39.44 67.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.557 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.28 80.84 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 21' ' ' PHE . 18.2 mm -72.91 -43.11 60.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.883 0.373 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.891 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -77.07 -30.2 55.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.887 178.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' SER . 40.3 tp10 -75.7 -29.26 58.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.772 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 30' ' ' GLN . 77.2 m-20 -101.45 153.32 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.138 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.528 ' NE2' ' OD1' ' A' ' 75' ' ' ASN . 34.5 mt-30 -47.42 -24.25 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.822 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 3.3 pttm -49.58 -36.11 22.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 109.97 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.61 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 92.9 m-20 -59.96 -41.29 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.101 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 33' ' ' LEU . 8.7 mp -61.68 -38.81 89.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.871 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -43.0 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.656 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.582 ' ND2' HG23 ' A' ' 22' ' ' ILE . 2.8 p30 . . . . . 0 C--O 1.228 -0.049 0 CA-C-O 120.33 0.109 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.609 HE21 ' HZ2' ' A' ' 78' ' ' TRP . 23.0 pt20 48.69 54.95 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.263 0.554 . . . . 0.0 110.118 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 22' ' ' ILE . 6.4 mt -47.59 -48.1 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.601 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 74.7 m-20 -58.42 -52.08 67.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.538 -178.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.725 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -66.7 -41.18 88.43 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.139 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -59.14 -44.19 92.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.559 -178.645 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.453 ' NE2' ' CD2' ' A' ' 47' ' ' LEU . 23.7 m170 -59.55 -46.91 87.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.699 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 59.4 mttp -60.76 -48.83 80.03 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.288 0.566 . . . . 0.0 109.637 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.53 -54.3 45.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.395 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.2 tp -55.62 -49.16 73.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.175 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -55.5 -43.16 75.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -63.0 -31.57 72.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.524 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.643 ' O ' ' SD ' ' A' ' 60' ' ' MET . 86.7 m-70 -112.91 20.03 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -55.49 -34.44 64.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 111.761 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.536 ' O ' ' OE1' ' A' ' 62' ' ' GLU . 77.0 m-20 -58.36 -28.25 64.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.828 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.73 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.9 ptm -55.59 -35.18 65.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.947 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.633 ' SG ' ' CD ' ' A' ' 62' ' ' GLU . 30.4 p -61.99 -29.84 70.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.246 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.633 ' CD ' ' SG ' ' A' ' 61' ' ' CYS . 58.9 mp0 -76.39 -13.72 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.606 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.94 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.287 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.73 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -84.6 -33.1 23.43 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.467 179.555 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? 58.52 -7.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.756 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.688 ' H ' ' C ' ' A' ' 64' ' ' TRP . 3.1 p -85.42 157.07 20.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.209 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 17.1 tttp -93.12 -63.16 1.25 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.164 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.643 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 41.7 mp0 -60.56 -37.36 81.0 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.063 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 83.3 m-20 -63.28 -44.7 94.35 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.921 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.551 HG22 HD13 ' A' ' 74' ' ' LEU . 86.0 mt -60.53 -39.9 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 90.6 mt -56.95 -41.74 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.4 -43.19 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.345 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.67 -50.38 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 70' ' ' ILE . 7.5 mp -56.06 -44.06 78.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.112 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.528 ' OD1' ' NE2' ' A' ' 30' ' ' GLN . 24.1 m-20 -55.46 -44.83 76.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.473 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.22 -41.39 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.6 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.69 -41.86 74.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.079 0.466 . . . . 0.0 110.321 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.609 ' HZ2' HE21 ' A' ' 46' ' ' GLN . 1.7 t-105 -59.27 -39.25 82.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.93 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.534 ' OD1' HD23 ' A' ' 33' ' ' LEU . 40.0 m-20 -72.94 -41.99 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -63.01 -41.93 99.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.136 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.498 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 13.1 t0 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.169 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.9 mttp . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -77.08 145.09 38.08 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.075 0.464 . . . . 0.0 111.673 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -83.69 159.7 21.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.305 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.519 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 88.3 m-20 -55.92 -41.45 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.385 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.678 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 65.3 m-20 -65.65 -45.04 84.47 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.824 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -66.1 -42.95 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.34 0.591 . . . . 0.0 109.79 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.476 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.3 t-105 -60.54 -45.73 92.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.01 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 90.5 m-20 -54.0 -40.71 67.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.655 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.678 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -63.86 -42.65 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.691 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.8 tp -62.34 -35.4 78.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.827 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 14' ' ' TRP . 68.0 mttt -58.27 -44.03 88.21 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.804 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.83 -41.75 98.17 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.724 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.94 -40.4 84.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.68 ' CE2' HD21 ' A' ' 74' ' ' LEU . 4.4 m-30 -65.84 -45.33 82.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD11 HD21 ' A' ' 47' ' ' LEU . 97.9 mt -59.55 -45.77 93.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.731 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -57.64 -45.62 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.675 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.92 -30.31 74.94 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.539 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 5.6 mm -70.63 -38.27 72.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.797 0.332 . . . . 0.0 110.616 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.849 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -73.26 -35.76 66.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -89.91 157.73 17.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -57.11 -25.25 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -50.45 -12.57 0.1 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.512 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' O ' HG12 ' A' ' 34' ' ' VAL . 40.7 tttp -56.49 -35.64 68.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.269 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.714 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 31.6 p30 -60.77 -36.07 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.909 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.714 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 40.6 tp -66.85 -49.0 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.664 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -65.01 -31.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.372 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.829 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 65.1 m-20 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.105 0.478 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.544 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 12.7 pt20 48.54 59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.391 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 22' ' ' ILE . 8.8 mt -60.17 -45.65 92.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.829 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.74 -51.34 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.698 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -66.68 -41.21 88.46 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.448 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.3 tt -58.28 -44.4 88.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.98 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.3 m170 -59.81 -46.55 88.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.281 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.19 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.252 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -58.19 -49.17 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 21' ' ' PHE . 19.9 tp -58.88 -54.74 43.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.233 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 28.3 m-20 -56.72 -41.17 76.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.225 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.502 HH11 ' HG3' ' A' ' 56' ' ' ARG . 39.2 ttm-85 -60.54 -32.89 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.36 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.61 ' O ' ' CG ' ' A' ' 60' ' ' MET . 84.5 m-70 -114.54 24.69 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -53.15 -33.7 53.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.94 -25.66 65.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.632 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.745 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.06 -33.36 67.16 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.419 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.608 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.9 p -66.73 -30.33 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.208 0.528 . . . . 0.0 110.28 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 74.9 mm-40 -74.55 -29.05 61.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -75.48 -44.97 41.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -127.36 49.22 2.12 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.8 179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' TRP . 37.1 tttt -35.44 82.09 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.79 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.677 ' N ' ' O ' ' A' ' 64' ' ' TRP . 26.0 p -153.04 166.5 32.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -100.29 -69.64 0.76 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -61.88 -37.66 85.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 111.033 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.463 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -61.39 -51.36 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.652 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 66' ' ' SER . 34.7 mt -60.23 -43.82 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.639 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.512 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 79.6 mt -55.37 -40.59 71.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.699 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.473 ' HD1' ' C ' ' A' ' 72' ' ' HIS . 1.2 t-80 -61.78 -45.39 94.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtm -60.73 -51.51 69.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.43 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.68 HD21 ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -58.01 -39.46 78.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.511 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 71' ' ' LEU . 44.2 m-20 -55.15 -46.63 75.7 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.312 0.577 . . . . 0.0 109.935 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 94.4 mt-10 -64.63 -39.51 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.332 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.43 -35.72 58.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.348 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.539 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 4.4 t-105 -55.31 -41.55 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.826 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -58.52 -38.17 77.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.434 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 81' ' ' ASP . 25.1 mttm -58.95 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.727 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.501 ' O ' ' O ' ' A' ' 80' ' ' LYS . 65.1 t0 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.558 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 mttt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.648 0.261 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -74.21 149.74 40.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.04 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 p -85.03 159.88 20.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.243 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -54.54 -40.57 68.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.776 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.23 -43.95 76.82 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.16 -40.24 94.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 109.184 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.503 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.6 t-105 -63.41 -48.4 77.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.765 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.593 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 64.7 m-20 -56.23 -43.89 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.989 0.423 . . . . 0.0 111.024 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.38 -41.61 97.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 34.4 tp -62.22 -39.89 94.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.436 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.4 mttt -57.62 -42.09 82.64 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.076 0.465 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.593 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 4.2 mp0 -64.41 -39.59 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.12 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.629 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 90.4 m-20 -58.55 -42.88 88.88 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.933 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 54' ' ' LEU . 29.3 m-85 -63.85 -50.46 68.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.595 HG23 ' ND2' ' A' ' 45' ' ' ASN . 77.7 mt -58.08 -42.21 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.6 m -58.48 -49.95 75.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.553 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.57 75.45 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.672 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.455 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 4.7 mm -71.76 -46.41 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.653 -0.322 . . . . 0.0 110.82 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.744 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -80.26 -28.12 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -72.84 -44.77 61.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.576 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -88.86 167.23 13.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.127 0.489 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 31' ' ' LYS . 46.2 tp10 -59.37 -23.64 62.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.802 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HA ' HD13 ' A' ' 33' ' ' LEU . 53.3 mm-40 -50.54 -7.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.279 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.556 ' H ' ' C ' ' A' ' 29' ' ' GLU . 15.1 pttp -60.01 -30.38 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.752 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -58.53 -35.85 72.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 33' ' ' LEU . 8.3 mp -62.74 -36.89 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.768 HG22 HE22 ' A' ' 46' ' ' GLN . 0.9 OUTLIER -68.22 -37.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.202 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.595 ' ND2' HG23 ' A' ' 22' ' ' ILE . 55.9 m-80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.768 HE22 HG22 ' A' ' 34' ' ' VAL . 11.2 pm0 45.05 64.43 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.889 0.852 . . . . 0.0 109.831 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.691 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.3 mt -48.56 -48.13 38.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.121 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.583 ' CG ' HD12 ' A' ' 49' ' ' LEU . 29.9 p-10 -59.78 -53.67 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.583 HD12 ' CG ' ' A' ' 48' ' ' ASP . 7.1 mp -69.56 -41.98 75.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 50' ' ' LEU . 7.5 tt -58.5 -44.04 89.28 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.839 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.691 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 13.0 m-70 -58.32 -49.58 76.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.56 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -58.16 -43.17 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -58.35 -54.95 41.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.658 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 21' ' ' PHE . 9.5 tp -56.72 -52.44 64.97 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.757 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -56.42 -43.6 79.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.134 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 13.2 ttm105 -63.24 -31.53 72.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.965 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -112.85 17.57 18.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.378 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.576 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.3 ptm180 -50.28 -34.09 22.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.086 0.47 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.39 -31.33 67.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.645 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.73 -27.42 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 0.0 111.054 179.696 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.576 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.0 p -61.61 -29.54 70.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.576 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 98.9 mt-10 -77.57 -12.0 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 30.0 mtmt -84.69 23.06 1.21 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.724 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.03 -45.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.638 178.737 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttm 67.71 -19.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.605 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.8 p -86.34 123.84 32.03 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.629 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 7.1 tptm -58.56 -51.91 67.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.304 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -56.83 -40.9 76.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.037 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 46.7 m-20 -62.24 -43.49 98.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.123 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.498 HG12 ' CD1' ' A' ' 64' ' ' TRP . 73.5 mt -58.05 -50.45 78.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.731 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.33 -42.73 74.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -60.12 -44.97 94.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -64.69 -48.7 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.025 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 3.5 mp -57.57 -40.34 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -56.07 -44.4 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -67.19 -41.0 86.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.7 -36.66 78.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 0.0 109.69 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.455 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.2 t-105 -56.8 -49.05 76.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.875 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -70.14 -34.39 72.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.375 0.607 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -64.58 -36.77 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.038 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.87 -179.09 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mttm . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -75.72 145.31 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.554 . . . . 0.0 111.446 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 18.1 p -80.73 158.0 25.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.644 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.22 -40.95 68.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 87.6 m-20 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.684 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 77.9 mm-40 -64.16 -39.37 93.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.745 0.783 . . . . 0.0 109.412 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.487 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -62.95 -48.34 79.31 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.357 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.654 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 24.0 m120 -54.37 -42.33 70.2 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.279 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.588 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -64.51 -43.31 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.615 HD11 ' CE1' ' A' ' 21' ' ' PHE . 52.1 tp -60.92 -36.45 79.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.269 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 22.8 mttm -61.72 -46.77 88.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.584 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.654 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 2.5 mp0 -60.14 -40.08 88.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.489 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.96 -44.57 96.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.793 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -63.71 -43.55 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.839 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.3 mt -58.38 -45.13 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -58.57 -45.32 89.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.621 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.1 63.47 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.498 HD11 ' CE3' ' A' ' 78' ' ' TRP . 19.5 mm -74.6 -43.79 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.81 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.13 -29.4 62.87 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.147 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.17 -40.77 44.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -82.77 159.02 22.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.0 tt0 -57.0 -24.31 52.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.6 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -51.91 -10.89 0.13 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.823 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' HG12 ' A' ' 34' ' ' VAL . 40.0 ttpt -56.44 -38.09 71.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.342 0.592 . . . . 0.0 111.532 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 12.3 t70 -66.79 -39.9 87.94 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.213 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' CD1' ' OD1' ' A' ' 79' ' ' ASN . 86.0 mt -60.74 -45.69 93.32 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.359 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 31' ' ' LYS . 10.3 p -64.81 -30.04 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.843 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.212 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.839 ' OD1' HG23 ' A' ' 22' ' ' ILE . 2.6 m120 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.648 0.261 . . . . 0.0 111.585 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.566 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 52.94 45.67 28.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.515 0.674 . . . . 0.0 110.055 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 6.3 mt -29.22 -54.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -60.07 -54.74 42.42 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.492 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.9 tt -57.37 -44.43 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 19.4 m170 -57.98 -46.55 84.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.279 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.66 -48.38 82.04 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.432 ' CH2' ' OE1' ' A' ' 77' ' ' GLN . 69.4 t90 -56.05 -52.6 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.14 -52.21 66.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.254 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.63 -41.97 67.29 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.144 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -62.46 -33.66 75.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.577 ' O ' ' CG ' ' A' ' 60' ' ' MET . 76.7 m-70 -110.79 19.76 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.301 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.725 0.297 . . . . 0.0 111.334 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -57.37 -34.48 68.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 109.988 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.735 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.4 ppp? -60.5 -28.07 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.939 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 11.2 p -60.03 -28.03 67.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.449 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -76.82 -13.12 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.274 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.548 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 91.4 mttt -82.15 20.42 1.03 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.564 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.735 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.22 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.788 178.774 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.32 -6.27 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.0 p -89.49 174.92 7.52 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.497 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.72 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 16.2 tttm -112.24 -53.0 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.69 -37.65 87.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -65.46 -44.23 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.188 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 66' ' ' SER . 65.5 mt -61.93 -40.58 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.203 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.72 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 83.4 mt -58.08 -41.4 83.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.565 ' CE1' ' OE2' ' A' ' 76' ' ' GLU . 11.3 t-80 -61.28 -39.5 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 110.164 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -61.83 -48.15 81.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.685 178.878 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.9 mp -57.92 -40.38 80.28 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.65 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.37 -48.05 80.06 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.369 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.565 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 96.4 mt-10 -65.01 -39.15 93.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.546 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 89.1 mt-30 -70.46 -38.71 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.345 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.531 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 1.1 t-105 -56.69 -46.62 81.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.391 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.563 ' OD1' ' CD1' ' A' ' 33' ' ' LEU . 49.6 m-20 -65.35 -39.73 92.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' ASP . 27.0 mtpt -83.71 1.78 40.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.658 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' CG ' ' O ' ' A' ' 78' ' ' TRP . 76.9 m-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.723 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.458 -0.052 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -74.1 151.04 40.22 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.029 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.406 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 27.7 p -85.22 160.36 19.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.702 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -55.07 -40.54 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.281 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.57 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 79.9 m-20 -66.78 -45.45 78.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.983 0.42 . . . . 0.0 110.708 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 93.5 mt-10 -63.9 -39.76 94.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.567 0.699 . . . . 0.0 109.422 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.487 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.1 t-105 -62.47 -45.38 93.33 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.316 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.544 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 13.8 m-20 -55.75 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.69 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.614 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -63.93 -41.91 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -59.72 -38.65 82.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.699 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 24.7 mttt -61.22 -45.78 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.49 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.694 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 2.5 mp0 -61.18 -44.2 97.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.71 -42.11 96.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CD1' HD11 ' A' ' 71' ' ' LEU . 5.6 m-30 -67.02 -45.22 78.17 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.172 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 m -56.6 -41.91 77.84 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -61.14 -32.23 79.74 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mm -73.08 -37.95 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.345 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.52 -29.24 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 75.4 mm-40 -75.99 -34.62 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.537 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.504 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 51.9 p-10 -95.34 168.41 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.346 0.594 . . . . 0.0 111.548 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.07 -25.98 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.32 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 26.3 tt0 -54.05 -15.76 1.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.798 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -57.7 -38.32 75.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.428 0.632 . . . . 0.0 109.784 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -61.11 -44.87 96.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.035 179.646 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 tp -55.21 -39.65 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.342 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.492 HG11 ' ND2' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -64.83 -37.1 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.13 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.467 179.424 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 7.7 m120 . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.543 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 13.8 pt20 49.24 58.5 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 47' ' ' LEU . 25.8 mt -48.51 -49.38 36.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.566 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 14.5 p-10 -61.16 -56.22 23.28 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.75 -40.35 94.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.666 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.9 tt -58.94 -45.4 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.984 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -61.06 -45.97 92.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.319 -179.411 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -59.98 -48.09 83.13 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.58 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.805 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.9 tp -58.24 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.665 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -56.97 -43.24 81.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.374 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -60.89 -33.71 73.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.555 ' O ' ' CG ' ' A' ' 60' ' ' MET . 88.2 m-70 -116.04 23.32 12.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -52.55 -33.3 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.087 0.47 . . . . 0.0 110.225 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.698 ' OD1' ' N ' ' A' ' 60' ' ' MET . 45.2 p-10 -58.66 -28.89 66.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.484 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.708 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.64 -27.47 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -179.568 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 22.0 p -62.01 -28.24 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.741 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.72 -14.83 61.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.78 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 23.6 mttp -84.61 17.94 2.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.755 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.708 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.39 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.163 178.427 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp 64.05 0.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 70' ' ' ILE . 79.1 p -84.33 166.34 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 71' ' ' LEU . 23.4 tttm -98.15 -70.77 0.71 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.34 -40.13 85.35 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.673 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 29.2 t0 -61.97 -41.98 98.61 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 66' ' ' SER . 48.2 mt -58.78 -46.43 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.29 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 8.2 mp -55.21 -37.75 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.238 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -62.35 -46.8 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.337 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.673 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 13.2 mmtm -61.33 -50.73 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.0 mp -56.11 -41.84 75.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.244 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 26.7 m-20 -55.0 -42.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.438 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.05 -43.16 88.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.545 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 94.4 mm-40 -71.9 -36.68 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.759 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.06 -43.33 73.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -64.16 -36.56 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.897 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.8 -6.35 58.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.404 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 1.4 m-20 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.399 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -77.82 134.31 38.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.286 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.1 p -85.61 162.46 18.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.773 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.503 ' O ' ' OD1' ' A' ' 15' ' ' ASN . 94.7 m-20 -54.04 -40.16 66.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.803 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -65.39 -48.69 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.418 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.04 -39.89 95.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.396 0.617 . . . . 0.0 109.487 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.9 t-105 -63.82 -49.4 72.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.541 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.728 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 26.3 m120 -55.1 -38.64 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.089 0.471 . . . . 0.0 110.557 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -63.37 -42.61 98.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.94 -37.92 84.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.244 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.8 mttt -59.28 -44.97 92.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.728 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 2.1 mp0 -62.23 -41.7 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.762 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.38 -43.57 92.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.681 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.1 m-30 -65.64 -47.74 74.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.584 HG23 ' CG ' ' A' ' 45' ' ' ASN . 95.4 mt -59.16 -43.87 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.384 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 t -57.62 -46.49 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.349 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.521 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.02 -31.92 69.7 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.622 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 65.4 mt -70.5 -51.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.824 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -68.54 -31.68 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 0.0 109.764 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tm-20 -75.39 -42.52 53.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.962 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 39.6 p30 -88.5 163.14 16.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.277 0.56 . . . . 0.0 111.221 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' A' ' 31' ' ' LYS . 31.5 tt0 -63.05 -25.67 68.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.412 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -54.5 -7.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.967 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 29' ' ' GLU . 17.4 tttm -50.22 -28.05 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.954 0.407 . . . . 0.0 110.588 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -59.26 -36.32 75.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.585 HD21 ' ND2' ' A' ' 79' ' ' ASN . 7.9 mp -56.1 -40.86 74.32 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.604 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -43.68 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.065 0.46 . . . . 0.0 109.784 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.714 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.584 ' CG ' HG23 ' A' ' 22' ' ' ILE . 12.5 m120 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.683 0.278 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 34.3 mt-30 64.55 45.33 3.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.558 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.646 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 18.2 mt -41.56 -55.68 2.81 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.087 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -61.67 -56.04 24.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 49' ' ' LEU . 69.8 mt -67.83 -43.39 79.67 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.991 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -58.48 -41.38 85.15 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 3.9 m-70 -59.05 -49.47 77.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.905 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.616 ' CH2' ' NE2' ' A' ' 77' ' ' GLN . 36.9 t90 -53.69 -55.85 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.52 -49.63 72.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.505 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 66.6 m-20 -55.63 -43.45 76.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -64.09 -33.15 75.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.453 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.474 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.2 m-70 -109.56 18.25 20.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.318 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.54 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.9 ptm180 -54.6 -36.28 64.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.02 -28.75 66.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.724 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.0 ptt? -57.91 -30.27 65.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.827 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -60.26 -27.25 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -74.2 -13.48 60.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.767 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 32.6 mtpt -87.27 19.84 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.305 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.724 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.09 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.409 -0.517 . . . . 0.0 112.018 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt 63.57 -0.64 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.518 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 92.9 p -83.75 170.84 13.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.567 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -107.09 -67.64 0.94 Allowed 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -61.47 -39.93 92.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.989 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 63.3 m-20 -61.47 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.795 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.562 HG22 HD13 ' A' ' 74' ' ' LEU . 63.5 mt -58.26 -42.33 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.934 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 21' ' ' PHE . 80.6 mt -56.61 -41.53 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.371 . . . . 0.0 110.416 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtt -60.34 -50.64 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.562 HD13 HG22 ' A' ' 70' ' ' ILE . 6.9 mp -56.71 -42.43 79.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.792 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.534 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 94.2 m-20 -54.83 -46.78 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.811 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.7 -39.87 80.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.871 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.616 ' NE2' ' CH2' ' A' ' 53' ' ' TRP . 18.6 tt0 -68.12 -41.07 82.29 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.622 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.4 t-105 -55.37 -40.38 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.631 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.585 ' ND2' HD21 ' A' ' 33' ' ' LEU . 31.2 m120 -64.83 -43.71 92.18 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.405 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.61 -9.03 58.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.938 0.399 . . . . 0.0 110.511 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD2' ' NE1' ' A' ' 53' ' ' TRP . 42.6 t0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.549 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.703 ' NZ ' ' NH2' ' A' ' 58' ' ' ARG . 6.4 mtmp? . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.882 0.372 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.67 143.42 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.3 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.4 p -82.48 163.14 21.78 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -55.92 -40.01 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.908 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.683 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 98.8 m-20 -65.6 -47.32 76.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.368 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.83 -40.88 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.469 0.652 . . . . 0.0 109.277 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.617 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.5 t-105 -62.61 -45.02 94.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.357 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.587 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 69.9 m-20 -54.15 -40.33 67.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.299 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.683 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 4.6 mp0 -65.19 -42.02 93.97 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 21' ' ' PHE . 42.2 tp -59.04 -39.41 81.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.532 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 29.3 mttt -61.12 -46.85 88.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.587 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.1 mp0 -60.11 -45.27 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.923 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.09 -47.33 86.81 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.4 m-30 -59.78 -46.58 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.565 HG23 ' CB ' ' A' ' 45' ' ' ASN . 92.6 mt -57.75 -44.21 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.538 ' HA ' HD23 ' A' ' 26' ' ' LEU . 20.9 t -57.08 -43.84 82.54 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.01 93.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.581 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 13.1 mm -75.76 -40.31 39.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.989 0.423 . . . . 0.0 110.76 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.82 -30.93 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -78.57 -42.02 30.36 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.732 0.301 . . . . 0.0 111.23 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.642 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 56.8 p30 -78.81 171.91 14.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.135 0.493 . . . . 0.0 111.773 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -62.77 -29.77 70.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.642 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 91.5 mt-30 -49.35 -15.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.45 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -56.9 -33.83 67.31 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.063 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.71 -36.7 83.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.28 0.562 . . . . 0.0 109.766 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 33' ' ' LEU . 4.0 tt -64.13 -39.83 94.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.491 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 45' ' ' ASN . 1.2 t -62.09 -41.92 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.384 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.052 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.601 ' HA ' HG21 ' A' ' 34' ' ' VAL . 11.2 p30 . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 120.576 0.226 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' LEU . 39.0 mt-30 63.38 42.25 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.56 ' HG ' HD21 ' A' ' 45' ' ' ASN . 12.0 mt -37.91 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.714 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -58.74 -56.68 19.06 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.7 mp -69.1 -41.01 78.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.272 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.35 -45.58 91.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.079 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 22.2 m170 -60.23 -48.89 79.8 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.456 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -61.1 -46.93 88.6 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.516 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.08 -53.05 62.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.91 -49.95 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.617 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 88.2 m-20 -58.11 -43.97 87.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 56' ' ' ARG . 39.2 ttp180 -61.35 -31.53 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.367 . . . . 0.0 110.79 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 60' ' ' MET . 4.2 m-70 -105.46 16.28 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.792 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.703 ' NH2' ' NZ ' ' A' ' 8' ' ' LYS . 13.2 ptm180 -54.24 -36.85 64.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -57.39 -27.03 61.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.678 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 11.5 ptm -57.03 -29.4 63.34 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.756 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.477 ' HA ' ' HE1' ' A' ' 64' ' ' TRP . 9.0 p -62.24 -28.52 69.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.888 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.96 -13.26 62.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.44 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 8.4 mttp -87.83 17.96 4.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.678 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -167.0 -45.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.148 178.795 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 tttm 69.05 -7.16 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.402 . . . . 0.0 110.231 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' TRP . 21.3 p -82.46 -156.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.238 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -133.0 -63.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.914 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.95 -37.43 82.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 111.411 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.877 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.584 HG22 HD13 ' A' ' 74' ' ' LEU . 63.2 mt -58.74 -42.46 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 48.3 mt -55.85 -43.2 76.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.696 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.594 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 71.1 m-70 -60.66 -46.43 90.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.287 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -61.66 -51.71 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.531 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 70' ' ' ILE . 10.7 mp -56.57 -35.4 68.13 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.761 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 70.0 m-20 -56.29 -49.2 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.097 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.594 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 23.5 mp0 -65.6 -37.42 86.58 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.549 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -70.02 -36.9 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.2 t-105 -57.75 -47.86 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.41 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -69.63 -34.35 73.93 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.261 0.553 . . . . 0.0 109.989 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -81.92 -7.69 59.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.672 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 t0 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.314 179.848 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HD2' HH22 ' A' ' 58' ' ' ARG . 17.4 pttp . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -75.1 141.49 43.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.032 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 65.7 p -84.59 162.28 19.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.501 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -54.16 -42.46 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.727 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -65.92 -45.83 80.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.498 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 76.7 mm-40 -63.57 -41.4 98.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 109.577 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 4.6 t-105 -63.6 -47.95 79.34 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.96 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.512 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 81.3 m-20 -54.03 -39.33 66.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.958 0.408 . . . . 0.0 110.18 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -63.27 -43.15 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.772 HD11 ' CE1' ' A' ' 21' ' ' PHE . 67.0 tp -60.65 -38.16 83.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.684 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HD3' ' HD1' ' A' ' 51' ' ' HIS . 35.6 mttt -60.78 -45.33 94.79 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.663 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.512 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.5 mp0 -60.55 -44.04 96.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.916 0.388 . . . . 0.0 110.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.41 -42.35 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.53 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.1 m-30 -67.26 -47.98 69.09 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG23 ' OD1' ' A' ' 45' ' ' ASN . 91.4 mt -58.22 -45.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 27' ' ' GLU . 27.4 t -55.2 -43.03 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . -59.6 -32.53 73.86 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 11.3 mm -73.45 -43.97 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -81.4 -34.22 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.917 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.0 mt-10 -76.25 -44.33 37.85 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.059 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 40.9 t30 -79.47 167.69 20.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -57.51 -24.43 55.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.237 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -54.62 -14.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.386 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' CA ' ' O ' ' A' ' 25' ' ' ILE . 15.2 pttp -54.05 -41.64 68.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.507 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 51.1 p30 -65.43 -34.93 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.697 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -65.92 -39.34 90.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -60.5 -41.13 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.254 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.466 ' OD1' HG23 ' A' ' 22' ' ' ILE . 7.8 m120 . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 50' ' ' LEU . 7.8 mt-30 65.35 42.13 4.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.796 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.1 mt -43.85 -55.89 4.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.115 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -59.3 -53.92 52.73 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 mp -67.65 -39.45 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.822 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.3 tt -59.94 -45.87 91.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.851 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.696 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 56.2 m-70 -56.89 -48.66 77.67 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.576 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 10.5 mtmp? -60.91 -46.18 91.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.278 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -55.6 -51.28 67.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.515 0.674 . . . . 0.0 109.423 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.2 tp -57.29 -53.09 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.85 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -54.32 -44.77 72.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.117 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -65.65 -31.64 72.76 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.918 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.573 ' O ' ' CG ' ' A' ' 60' ' ' MET . 1.8 m-70 -110.18 16.9 21.48 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.403 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.55 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.9 ptm180 -52.9 -34.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.41 -26.44 63.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.095 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.17 -30.28 62.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.958 -179.497 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 30.4 p -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.0 111.441 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -72.65 -13.1 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.657 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 48.4 mttp -86.45 18.96 2.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.04 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.994 178.548 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm 56.12 3.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.627 ' O ' HD12 ' A' ' 70' ' ' ILE . 87.6 p -83.15 177.65 8.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -115.56 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.916 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.89 -39.9 91.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 42.4 m-20 -62.06 -43.94 97.76 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.28 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 66' ' ' SER . 34.0 mt -61.86 -41.51 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 71' ' ' LEU . 42.8 mt -56.45 -40.13 74.3 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.121 0.486 . . . . 0.0 110.362 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -61.23 -44.2 97.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.174 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.96 -52.25 65.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.347 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD13 HG22 ' A' ' 70' ' ' ILE . 7.2 mp -58.28 -37.82 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.218 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.84 -43.36 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.393 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -63.87 -40.97 97.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -69.6 -38.06 77.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.291 0.567 . . . . 0.0 109.602 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -41.89 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.392 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -63.72 -41.71 98.03 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.28 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -82.06 -0.96 46.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.711 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.026 0.441 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -77.26 144.19 38.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.294 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 23.6 p -85.46 163.04 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.34 -43.08 70.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.171 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -65.14 -45.01 86.8 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.055 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -65.55 -41.23 93.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.568 0.699 . . . . 0.0 109.534 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.6 t-105 -61.92 -46.11 90.77 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.004 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.525 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 97.5 m-20 -55.75 -38.93 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 110.802 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.6 -42.96 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.631 HD11 ' CE1' ' A' ' 21' ' ' PHE . 47.9 tp -60.89 -38.96 87.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.538 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.585 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 30.2 mttm -59.63 -45.4 92.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.525 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -62.05 -42.07 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.736 -179.533 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 88.9 m-20 -61.62 -46.07 91.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.634 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.6 m-30 -61.92 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.444 HD12 ' NE2' ' A' ' 19' ' ' GLN . 87.6 mt -58.83 -50.25 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.111 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.3 t -56.68 -42.44 79.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.88 -34.96 85.17 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.48 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 89.9 mt -74.41 -30.69 26.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.281 . . . . 0.0 111.493 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.71 -25.67 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.899 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.43 -23.83 34.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.695 ' ND2' ' CG ' ' A' ' 30' ' ' GLN . 42.7 p-10 -105.32 173.7 6.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.398 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.47 -26.59 65.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.773 ' OE1' HD12 ' A' ' 33' ' ' LEU . 87.5 mm-40 -53.31 -19.37 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.13 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 12.4 pttt -49.45 -36.91 23.95 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 51.6 t0 -66.19 -42.87 88.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.719 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.773 HD12 ' OE1' ' A' ' 30' ' ' GLN . 37.2 mt -62.63 -28.96 70.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.594 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.551 HG22 ' OE1' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.59 -47.25 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.251 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.527 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.423 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.734 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 45' ' ' ASN . 2.1 m120 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.833 0.349 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.551 ' OE1' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 50.21 65.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.745 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.715 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.2 mt -47.98 -53.68 15.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.384 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.39 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.88 -42.64 80.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.404 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.5 tt -59.27 -43.95 92.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.824 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.715 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 31.8 m-70 -58.52 -49.63 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.582 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -61.26 -48.37 81.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.748 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -56.89 -53.19 60.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.7 -51.74 66.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.24 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.537 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 83.9 m-20 -58.6 -40.32 82.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.065 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.95 -33.33 75.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.844 0.354 . . . . 0.0 111.269 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 60' ' ' MET . 83.5 m-70 -110.88 18.01 19.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 3.3 ptm180 -51.55 -34.82 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.44 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.9 p-10 -57.9 -29.2 64.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.404 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.687 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -60.8 -27.14 67.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.45 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.7 p -61.56 -28.61 69.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.527 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -74.82 -11.46 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.529 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtmt -84.28 20.87 1.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.256 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.687 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.78 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt 62.06 -0.37 0.47 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.614 ' O ' HD12 ' A' ' 70' ' ' ILE . 97.2 p -89.46 161.28 16.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.189 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' A' ' 20' ' ' ASP . 12.9 tttm -94.61 -62.93 1.24 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.46 -37.7 84.56 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -46.35 87.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 110.929 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 66' ' ' SER . 69.9 mt -59.72 -43.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.549 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.93 -40.14 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.187 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -60.33 -44.05 95.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.643 ' HB3' ' HZ2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.83 -52.05 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.497 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 78' ' ' TRP . 6.2 mp -57.2 -40.53 77.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.811 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.62 -47.0 77.3 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -67.13 -40.56 86.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.5 -38.58 74.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.976 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.48 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 2.8 t-105 -54.51 -45.44 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.615 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -63.11 -41.89 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -73.75 -28.45 61.69 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.526 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 49.8 t0 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 111.043 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.32 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -76.33 147.13 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.757 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -88.39 160.16 17.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.681 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.48 -41.17 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.624 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -64.74 -43.78 92.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.26 -41.51 94.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.898 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.526 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.6 t-105 -64.14 -46.39 84.31 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.551 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.523 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 95.6 m-20 -57.43 -37.37 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 110.335 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.12 -44.6 91.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.209 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.805 HD11 ' CE1' ' A' ' 21' ' ' PHE . 34.6 tp -63.46 -37.01 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.327 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 21.8 mttm -59.06 -46.87 87.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.151 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -61.02 -44.2 97.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.481 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -59.8 -43.98 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.612 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.805 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.7 m-30 -68.04 -46.52 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.678 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.614 ' CG2' ' ND2' ' A' ' 45' ' ' ASN . 79.2 mt -57.24 -47.85 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 m -55.64 -40.93 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.53 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -60.39 -32.16 76.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.44 HG21 HG23 ' A' ' 34' ' ' VAL . 39.5 mm -75.62 -35.25 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -86.41 -32.36 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.696 -179.102 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.8 mt-10 -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.723 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.739 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 47.9 p-10 -99.35 175.11 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 111.74 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 31' ' ' LYS . 46.3 tt0 -63.24 -26.28 68.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.715 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.739 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 45.1 mt-30 -49.88 -11.32 0.06 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.989 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 29' ' ' GLU . 5.1 ttmm -51.61 -38.14 53.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.635 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -53.12 -31.31 41.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 78' ' ' TRP . 77.1 mt -60.92 -36.03 78.23 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.139 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG23 HG21 ' A' ' 25' ' ' ILE . 20.2 t -59.05 -44.58 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.133 -179.806 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.614 ' ND2' ' CG2' ' A' ' 22' ' ' ILE . 23.1 m-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.895 0.378 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.48 ' CD ' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 51.91 55.48 9.22 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 47' ' ' LEU . 51.0 mt -46.9 -51.02 17.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.775 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.55 -49.75 76.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.651 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.8 mm? -69.54 -41.42 75.96 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.152 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.54 -43.91 93.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.922 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -47.69 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.482 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.2 -45.63 92.51 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -57.56 -55.38 35.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.8 tp -55.43 -50.21 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.58 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.19 -47.06 82.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 tpt85 -61.74 -31.53 71.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.769 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.404 ' O ' ' HG2' ' A' ' 60' ' ' MET . 95.2 m-70 -110.52 15.52 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.497 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.564 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.7 ptm180 -51.15 -36.26 39.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -55.69 -31.94 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.525 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.0 ptt? -58.23 -27.81 64.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.567 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.7 p -61.01 -27.19 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.542 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -71.66 -16.19 62.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 47.9 mttp -87.45 19.92 3.1 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.716 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.0 -49.38 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.092 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 62.02 4.07 1.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.709 ' O ' HD12 ' A' ' 70' ' ' ILE . 37.0 p -89.54 163.43 15.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -92.93 -66.26 0.94 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -63.75 -38.67 91.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 45.2 t0 -62.8 -45.13 94.08 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.117 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 66' ' ' SER . 56.4 mt -60.63 -43.76 95.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.157 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 71' ' ' LEU . 67.5 mt -53.8 -40.25 66.17 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.949 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.429 ' O ' ' OE2' ' A' ' 76' ' ' GLU . 17.6 t-80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.154 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 14.6 mmmt -63.32 -52.84 60.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.215 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 74' ' ' LEU . 6.8 mp -57.13 -37.17 71.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.251 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.731 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 33.9 m-20 -58.21 -47.71 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.357 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -65.87 -38.84 89.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.295 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.547 ' OE1' ' O ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -69.33 -40.15 77.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.024 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.564 ' CD1' HD13 ' A' ' 33' ' ' LEU . 1.3 t-105 -55.46 -49.91 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.984 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' OD1' HD11 ' A' ' 33' ' ' LEU . 55.6 m-20 -67.42 -41.08 85.43 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -86.8 5.14 38.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.825 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.558 ' OD2' ' O ' ' A' ' 78' ' ' TRP . 35.0 p30 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.227 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.826 0.346 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -77.68 144.2 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.393 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 p -88.33 160.08 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.141 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -53.75 -41.71 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.588 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 90.9 m-20 -66.13 -45.49 80.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.613 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.88 -39.82 94.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.406 0.622 . . . . 0.0 109.521 178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.502 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 5.9 t-105 -59.97 -46.09 90.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.589 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -57.08 -37.7 72.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.586 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.6 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.91 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.215 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.502 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 60.4 tp -63.79 -36.85 85.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.232 178.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.547 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 44.8 mttt -58.09 -42.77 86.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.0 -40.6 98.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.456 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 77.2 m-20 -59.43 -44.83 92.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.909 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CE1' HD22 ' A' ' 74' ' ' LEU . 32.5 m-85 -65.28 -47.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG23 ' OD1' ' A' ' 45' ' ' ASN . 71.1 mt -58.39 -42.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -59.18 -46.08 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.537 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.37 -34.53 81.06 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.41 ' HA ' HD13 ' A' ' 25' ' ' ILE . 45.3 mm -71.63 -43.93 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.138 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.889 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.11 -28.1 60.11 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.551 -179.59 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -77.34 -38.53 50.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.235 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 54.0 p30 -92.56 150.62 20.63 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 121.268 0.556 . . . . 0.0 111.046 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 31' ' ' LYS . 77.9 tt0 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.186 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -48.0 -9.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.236 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 29' ' ' GLU . 42.4 tttt -53.48 -32.36 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.21 -37.36 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.29 -36.94 85.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.033 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -41.1 90.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.194 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.151 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.58 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 2.5 p-10 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.563 0.22 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.58 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 9.1 pt20 49.81 58.09 5.82 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.314 0.578 . . . . 0.0 110.701 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.0 mt -45.33 -52.37 9.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.568 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.94 -49.25 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.5 mp -65.57 -40.82 93.19 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.037 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 50' ' ' LEU . 6.3 tt -59.06 -44.62 91.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.61 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 64.6 m-70 -61.15 -48.54 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.09 -45.31 93.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.048 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -57.41 -52.67 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.317 0.579 . . . . 0.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.82 -51.95 65.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.283 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.03 -42.67 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.561 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -61.61 -32.44 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 111.58 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 47.8 m-70 -115.48 21.73 13.78 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.264 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.0 ptm180 -55.66 -35.77 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 60' ' ' MET . 25.6 p-10 -59.5 -26.76 65.56 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.738 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.3 ptt? -58.95 -28.11 65.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.384 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.5 p -59.45 -29.77 68.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.572 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.349 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 3.8 mtpm? -85.3 21.7 1.66 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.738 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.68 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 178.096 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 60.73 5.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.234 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.55 ' O ' HD12 ' A' ' 70' ' ' ILE . 60.2 p -90.03 173.74 8.03 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' NZ ' ' HB3' ' A' ' 20' ' ' ASP . 19.2 tptt -101.4 -66.48 0.91 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 111.914 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 9.2 pt-20 -62.41 -41.83 98.98 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 68' ' ' GLU . 36.8 t0 -60.13 -45.76 91.94 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.666 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 66' ' ' SER . 45.8 mt -58.75 -44.49 90.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.813 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.573 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 66.4 mt -57.08 -39.61 75.32 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.062 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.619 ' NE2' ' OE2' ' A' ' 76' ' ' GLU . 47.3 t-80 -60.35 -47.18 87.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.6 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.606 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.8 mptp? -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.774 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.574 HD22 ' CE1' ' A' ' 21' ' ' PHE . 6.6 mp -58.81 -35.38 72.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.573 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 18.1 m120 -55.59 -51.07 68.37 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.276 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.619 ' OE2' ' NE2' ' A' ' 72' ' ' HIS . 9.0 mp0 -67.32 -35.75 80.07 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.606 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 9.6 mp0 -72.89 -38.48 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.012 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -59.29 -45.13 92.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.228 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -63.39 -42.19 98.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -86.07 1.03 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.511 -179.771 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 121.109 0.48 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -75.86 153.1 37.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.503 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.1 p -83.07 159.7 22.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.704 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -54.42 -40.65 68.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.251 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.9 -45.97 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.045 0.45 . . . . 0.0 110.253 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.6 -38.55 87.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.707 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.479 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 2.2 t-105 -61.46 -47.54 85.24 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.008 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -55.48 -40.94 72.31 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.085 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -64.22 -46.24 84.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.714 HD11 ' CE1' ' A' ' 21' ' ' PHE . 26.6 tp -63.66 -38.11 89.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.81 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.521 ' HD2' ' ND1' ' A' ' 51' ' ' HIS . 8.6 mtmp? -61.51 -45.42 94.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.088 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -61.5 -40.84 96.05 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.728 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.49 -47.57 83.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.449 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.714 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.0 m-30 -61.47 -43.75 98.31 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.51 HG23 HD22 ' A' ' 45' ' ' ASN . 82.5 mt -57.56 -48.49 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.963 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 16.9 m -56.47 -43.76 79.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.416 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.35 -34.95 87.12 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.45 ' HA ' HD13 ' A' ' 25' ' ' ILE . 29.1 mm -69.89 -42.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 111.037 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.92 -26.73 49.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 23' ' ' SER . 57.5 mm-40 -72.42 -32.89 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.642 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -91.38 153.81 19.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 111.437 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.67 -26.94 65.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 32' ' ' ASP . 96.5 mt-30 -56.56 -22.39 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.59 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.591 ' O ' HG12 ' A' ' 34' ' ' VAL . 50.4 pttt -39.97 -28.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.153 0.501 . . . . 0.0 110.592 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' GLN . 95.8 m-20 -58.42 -33.7 69.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.1 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OD1' ' A' ' 79' ' ' ASN . 64.8 mt -62.8 -43.98 97.38 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.158 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.4 p -70.97 -30.51 41.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.737 179.656 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.51 HD22 HG23 ' A' ' 22' ' ' ILE . 79.7 m-20 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.978 0.418 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.539 ' O ' ' C ' ' A' ' 47' ' ' LEU . 71.0 mt-30 62.31 42.25 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.987 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.673 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 54.5 mt -31.75 -54.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.113 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.16 -58.81 6.41 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -64.62 -39.84 94.42 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.966 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 50' ' ' LEU . 3.3 tt -58.23 -43.61 87.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 9.3 m-70 -57.57 -48.03 80.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.815 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -59.6 -46.38 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.513 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.572 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 56.3 t90 -58.53 -55.04 40.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.731 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.9 tp -55.4 -48.98 73.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.121 -178.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -56.04 -46.64 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.682 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.04 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.208 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 53' ' ' TRP . 29.8 m80 -104.51 9.4 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.358 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 54' ' ' LEU . 12.1 ptm180 -54.24 -36.69 63.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.954 0.407 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.97 -33.72 70.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.762 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.744 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.6 ppp? -57.84 -27.21 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.332 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 60' ' ' MET . 8.6 p -61.63 -27.79 68.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -71.98 -14.17 61.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 11.4 mttp -87.19 20.35 2.79 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.864 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.744 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.91 -53.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.13 178.542 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 65' ' ' LYS . 6.6 ttpm? 52.69 10.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.532 ' N ' ' C ' ' A' ' 64' ' ' TRP . 16.6 p -86.59 10.41 15.56 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.078 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.96 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' SER . 83.8 tt0 -57.52 -39.3 76.25 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.795 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.649 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -61.68 -41.19 97.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.687 HG22 HD13 ' A' ' 74' ' ' LEU . 33.9 mt -59.86 -44.03 93.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.451 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 71' ' ' LEU . 57.9 mt -56.76 -41.47 77.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.111 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -62.38 -43.63 98.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.899 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.649 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 42.7 mmtm -62.98 -51.82 65.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.687 HD13 HG22 ' A' ' 70' ' ' ILE . 8.1 mp -55.55 -42.37 74.56 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.493 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.52 -45.47 88.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.369 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.97 -40.62 96.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.091 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HA ' ' HZ2' ' A' ' 80' ' ' LYS . 8.8 pt20 -76.57 -32.89 58.43 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.194 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -54.62 -44.32 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' OD1' ' CD1' ' A' ' 33' ' ' LEU . 71.8 m-20 -70.46 -41.48 72.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.519 ' HB2' ' HZ2' ' A' ' 80' ' ' LYS . 10.2 mtmp? -82.67 1.9 36.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.102 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.858 -179.561 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.12 136.94 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.358 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.9 p -81.28 159.07 24.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.085 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.16 -40.2 70.38 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.094 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -64.21 -43.88 93.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -69.01 -37.5 78.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.324 0.583 . . . . 0.0 109.619 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.472 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -63.61 -47.32 81.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.348 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -54.4 -40.69 68.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.56 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -62.9 -42.46 99.78 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HG ' ' CE2' ' A' ' 21' ' ' PHE . 25.2 tp -62.28 -37.79 86.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.352 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 22.5 mttm -60.22 -45.24 93.87 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.519 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 23' ' ' SER . 94.0 mm-40 -60.24 -39.86 88.21 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.61 -43.56 80.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.641 ' CE1' ' CD2' ' A' ' 74' ' ' LEU . 30.3 m-85 -69.06 -53.4 20.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.017 0.437 . . . . 0.0 110.326 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.5 mt -59.38 -38.36 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.98 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 17.6 t -60.66 -49.43 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.051 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.59 -21.56 74.69 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.404 ' CG2' HG11 ' A' ' 34' ' ' VAL . 4.3 mm -73.56 -41.45 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.419 . . . . 0.0 110.71 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 26' ' ' LEU . 1.5 pp -85.7 -24.77 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.89 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' N ' HD12 ' A' ' 26' ' ' LEU . 53.4 tp10 -74.55 -38.39 62.74 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.474 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.416 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 51.1 p30 -91.86 162.12 14.56 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.731 0.3 . . . . 0.0 110.973 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.5 tt0 -57.91 -27.4 63.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.996 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.733 HE22 ' CB ' ' A' ' 75' ' ' ASN . 43.2 mt-30 -51.49 -7.57 0.05 OUTLIER 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.836 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 29' ' ' GLU . 41.9 tttm -55.68 -37.74 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.353 0.596 . . . . 0.0 109.727 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 60.1 t0 -61.0 -36.32 79.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.703 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -65.76 -46.09 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 31' ' ' LYS . 2.7 p -64.81 -35.54 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.181 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.562 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.4 m120 . . . . . 0 C--O 1.223 -0.328 0 CA-C-O 119.523 -0.275 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.661 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.3 OUTLIER 58.52 44.76 17.38 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.495 0.664 . . . . 0.0 111.002 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 2.6 mt -43.75 -53.93 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.72 -51.44 69.78 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 49' ' ' LEU . 79.6 mt -65.13 -38.22 89.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.544 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -59.07 -44.59 91.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.956 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 43.3 m-70 -59.19 -49.19 78.82 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.601 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -59.5 -46.83 87.71 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -58.0 -53.57 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.502 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.637 HD11 ' CE2' ' A' ' 21' ' ' PHE . 13.8 tp -58.23 -52.32 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.113 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -59.65 -43.54 93.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.077 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.472 ' O ' ' SD ' ' A' ' 60' ' ' MET . 94.8 m-70 -109.39 17.93 20.95 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.966 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.65 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.2 ptm180 -56.06 -33.31 64.9 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.733 ' OD1' ' N ' ' A' ' 60' ' ' MET . 35.9 p30 -56.31 -27.68 56.35 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.733 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 9.5 ptt? -59.58 -30.17 68.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.132 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.7 p -66.15 -31.06 71.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.742 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.53 -14.96 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -89.08 -75.22 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.217 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.608 ' O ' ' C ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -84.14 14.18 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.118 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.608 ' C ' ' O ' ' A' ' 64' ' ' TRP . 17.3 pttm -13.12 82.0 0.0 OUTLIER 'General case' 0 C--O 1.231 0.13 0 O-C-N 123.539 0.524 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 64' ' ' TRP . 16.4 p -153.66 177.89 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.453 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -107.73 -76.26 0.62 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -63.26 -35.26 79.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 110.512 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 80.9 m-20 -60.69 -46.49 90.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.377 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 66' ' ' SER . 29.8 mt -59.38 -38.44 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.803 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 34.0 mt -55.47 -41.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.033 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.72 -46.95 88.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.939 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 1.1 mptp? -62.76 -52.51 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.368 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.641 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 4.8 mp -57.98 -36.29 72.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.335 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.733 ' CB ' HE22 ' A' ' 30' ' ' GLN . 94.4 m-20 -56.91 -48.48 78.13 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.157 0.503 . . . . 0.0 110.026 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.24 -38.97 92.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.201 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.47 -41.65 79.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.598 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.423 ' HE1' ' HA ' ' A' ' 34' ' ' VAL . 2.3 t-105 -54.83 -45.11 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.785 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -70.93 -37.02 72.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -60.17 -43.62 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.385 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.601 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.937 0.399 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.403 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 60.4 m-85 -77.24 147.68 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.424 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 68.1 p -81.39 157.53 24.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.201 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -51.5 -42.26 61.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.826 0.346 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.741 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.1 m-20 -67.2 -48.13 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.141 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.424 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 98.7 mt-10 -64.82 -37.43 87.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 109.661 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.564 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 6.1 t-105 -62.16 -46.15 90.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.744 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 57.6 m-20 -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.752 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.741 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.1 mp0 -64.45 -43.52 94.01 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.003 0.43 . . . . 0.0 109.926 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.52 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.8 tp -61.07 -39.74 91.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.583 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.1 mttt -59.57 -44.52 93.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.685 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 15' ' ' ASN . 94.3 mm-40 -61.72 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.49 -45.78 92.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.131 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.66 -45.12 94.25 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.197 0.523 . . . . 0.0 109.637 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.757 HG23 ' CB ' ' A' ' 45' ' ' ASN . 78.3 mt -57.5 -49.8 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 t -54.46 -40.6 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.29 83.72 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.87 -34.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -89.48 -28.52 19.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.466 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.6 -37.17 56.88 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.739 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 38.3 t-20 -89.46 157.84 17.95 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.446 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 68.3 tt0 -58.81 -22.47 58.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 32' ' ' ASP . 64.3 mm-40 -52.13 -19.46 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.12 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' O ' HG12 ' A' ' 34' ' ' VAL . 25.0 ttpp -44.73 -21.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' GLN . 85.8 m-20 -59.21 -35.85 74.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.981 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.921 HD21 ' OD1' ' A' ' 79' ' ' ASN . 8.0 mp -54.71 -54.13 45.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 45' ' ' ASN . 4.5 p -63.49 -40.0 87.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.297 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.036 179.87 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.757 ' CB ' HG23 ' A' ' 22' ' ' ILE . 16.3 m120 . . . . . 0 C--O 1.232 0.164 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.429 ' HG3' HG23 ' A' ' 34' ' ' VAL . 57.0 mt-30 66.99 38.03 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.3 mt -38.25 -61.18 0.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -58.26 -52.2 66.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -69.13 -41.62 77.11 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.309 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.0 tt -58.17 -44.65 88.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.477 ' CG ' ' HD3' ' A' ' 18' ' ' LYS . 17.6 m170 -59.4 -50.0 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.599 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -59.16 -45.91 89.76 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.425 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -57.63 -55.88 29.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 tp -54.59 -48.72 71.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.564 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 94.4 m-20 -56.42 -41.85 77.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.391 -179.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -62.45 -31.03 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.909 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -109.96 22.65 15.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.567 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -55.08 -34.79 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.351 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.06 -29.61 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.334 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.2 ptt? -55.42 -34.87 64.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.362 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -63.65 -32.39 73.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 109.69 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -73.12 -21.43 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -74.91 -53.15 9.53 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.257 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.717 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -92.61 -59.55 2.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.339 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 64' ' ' TRP . 6.2 tttp 97.58 -27.41 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.787 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 33.1 p -86.75 130.79 34.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.821 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 70' ' ' ILE . 79.3 tttt -59.87 -50.88 72.05 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -60.47 -43.27 97.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.86 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 55.6 t0 -60.49 -44.73 95.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.118 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.489 ' O ' HD13 ' A' ' 74' ' ' LEU . 47.7 mt -57.76 -46.77 86.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.753 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 71' ' ' LEU . 71.7 mt -55.44 -42.55 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.406 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 31.9 m170 -59.9 -43.7 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.49 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 14.8 mmtm -63.88 -49.24 73.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 70' ' ' ILE . 3.8 mp -57.7 -42.67 84.19 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -56.06 -49.29 74.16 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.257 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 72' ' ' HIS . 67.3 mm-40 -67.91 -40.65 83.37 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ASP . 72.2 tp60 -72.64 -46.09 55.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.158 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.467 ' CD1' HD23 ' A' ' 33' ' ' LEU . 2.2 t90 -54.23 -43.39 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.921 ' OD1' HD21 ' A' ' 33' ' ' LEU . 96.6 m-20 -58.85 -46.23 88.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.063 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -85.74 0.16 53.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' GLN . 48.7 t0 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.107 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.933 0.396 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -76.44 143.08 40.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -84.22 161.62 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.37 -42.43 63.96 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.079 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.47 -47.7 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.3 -38.97 91.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 109.866 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.448 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.5 t-105 -61.28 -45.56 93.98 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.668 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.605 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 14.8 m-20 -57.85 -38.65 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.278 0.561 . . . . 0.0 110.071 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -63.38 -43.59 97.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.285 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.28 -40.25 93.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG2' HD22 ' A' ' 54' ' ' LEU . 26.5 mttm -57.74 -44.03 85.76 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.677 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 3.5 mp0 -63.82 -40.52 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.741 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.539 ' CB ' ' NZ ' ' A' ' 67' ' ' LYS . 51.4 m-20 -62.2 -42.88 99.7 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.815 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.609 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.9 m-30 -64.12 -48.32 76.56 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.69 HG23 ' CB ' ' A' ' 45' ' ' ASN . 64.3 mt -58.77 -50.0 80.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.332 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.401 ' HA ' HD23 ' A' ' 26' ' ' LEU . 66.5 m -53.89 -42.89 69.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.117 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.12 -34.1 86.7 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.503 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 87.2 mt -75.4 -36.8 36.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.726 0.298 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.871 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.23 -26.6 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 110.17 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.576 ' OE1' ' O ' ' A' ' 27' ' ' GLU . 3.3 tm-20 -73.43 -38.34 65.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.712 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.503 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 53.7 p30 -94.54 171.28 8.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.605 0.717 . . . . 0.0 112.157 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -66.26 -21.83 66.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.065 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.492 ' CD ' ' ND2' ' A' ' 28' ' ' ASN . 78.0 mt-30 -52.06 -17.34 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.818 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.541 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.0 ttpt -49.25 -23.05 1.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.724 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 p-10 -60.72 -34.13 73.93 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 78' ' ' TRP . 10.7 mp -51.78 -54.09 32.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.794 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.718 HG23 ' HG3' ' A' ' 46' ' ' GLN . 2.6 p -64.88 -34.8 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.69 ' CB ' HG23 ' A' ' 22' ' ' ILE . 16.8 m120 . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 120.553 0.216 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HG3' HG23 ' A' ' 34' ' ' VAL . 20.5 mt-30 64.45 41.88 5.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 8.9 mt -50.76 -56.46 11.95 Favored 'General case' 0 N--CA 1.461 0.111 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -55.14 -48.3 73.88 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.668 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.665 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -68.46 -38.11 80.79 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.593 178.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.491 HD21 ' CZ3' ' A' ' 78' ' ' TRP . 8.0 mt -59.4 -46.58 88.28 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.234 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 93.4 m-70 -57.55 -49.28 76.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -63.8 -52.92 58.04 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.614 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -59.97 -56.34 22.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.492 HD22 ' HG2' ' A' ' 18' ' ' LYS . 12.8 tp -56.9 -50.56 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.001 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 91.7 m-20 -57.35 -40.26 77.69 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.182 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 57.7 ttp180 -63.76 -31.83 73.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.406 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CE1' ' HE ' ' A' ' 56' ' ' ARG . 63.3 m-70 -112.68 20.82 16.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.192 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.647 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.8 ptm180 -53.82 -34.46 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.707 ' OD1' ' N ' ' A' ' 60' ' ' MET . 28.0 p30 -60.33 -28.65 68.31 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.213 0.53 . . . . 0.0 111.074 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.799 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 2.1 ptt? -55.12 -35.92 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.47 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.647 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.3 p -61.82 -34.56 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.996 0.426 . . . . 0.0 110.757 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 76.9 mm-40 -76.01 -18.33 59.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -76.74 -55.25 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.967 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.799 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -83.65 -42.0 17.16 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.141 179.445 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.5 tttm 64.99 41.36 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.942 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' ILE . 11.0 p -150.77 122.82 8.22 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.916 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.539 ' NZ ' ' CB ' ' A' ' 20' ' ' ASP . 32.8 tttp -58.92 -60.26 4.14 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -61.94 -38.14 87.34 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -177.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -63.85 -43.1 97.15 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.195 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 64' ' ' TRP . 92.7 mt -60.55 -41.73 88.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.952 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.609 HD21 ' CD1' ' A' ' 21' ' ' PHE . 50.6 mt -58.12 -40.64 81.76 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.303 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -57.51 -44.56 85.12 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.205 0.526 . . . . 0.0 109.784 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.476 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.1 mmtt -62.11 -47.26 85.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.969 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 70' ' ' ILE . 7.0 mp -57.94 -40.88 81.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -56.13 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.878 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -66.6 -40.42 88.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.121 0.486 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.739 ' O ' ' N ' ' A' ' 81' ' ' ASP . 97.8 mt-30 -70.58 -38.41 74.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.269 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.613 ' CD1' HD23 ' A' ' 33' ' ' LEU . 2.0 t-105 -57.11 -43.75 82.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -65.1 -37.76 88.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -98.42 -7.15 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.376 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 77' ' ' GLN . 17.0 t0 . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.276 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.491 ' HZ3' ' NE ' ' A' ' 58' ' ' ARG . 13.7 mtpt . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -76.75 150.8 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 111.841 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.0 p -83.47 161.14 21.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.724 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -56.23 -43.53 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.611 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.5 m-20 -63.35 -46.27 87.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.164 0.507 . . . . 0.0 110.464 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.02 -40.83 97.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.594 0.712 . . . . 0.0 109.453 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.505 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -62.16 -45.87 91.49 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.598 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.721 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 42.5 m-20 -55.29 -37.52 67.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.218 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.611 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 6.2 mp0 -64.61 -42.08 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.811 HD11 ' CE1' ' A' ' 21' ' ' PHE . 45.8 tp -62.36 -37.4 85.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.289 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 30.6 mttt -61.49 -48.13 82.49 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.721 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 2.3 mp0 -59.95 -43.75 94.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.914 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -60.99 -44.27 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.811 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -65.98 -47.31 74.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.158 0.504 . . . . 0.0 109.8 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.3 mt -57.33 -49.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.424 ' HA ' HD23 ' A' ' 26' ' ' LEU . 47.4 t -58.26 -44.08 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.729 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.26 90.12 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.672 HD13 HD21 ' A' ' 28' ' ' ASN . 24.2 mm -70.37 -37.6 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.888 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.77 -26.47 49.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.516 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 23' ' ' SER . 75.5 mm-40 -78.02 -42.94 30.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.215 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.672 HD21 HD13 ' A' ' 25' ' ' ILE . 55.8 p30 -77.46 170.25 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.652 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.14 -29.0 70.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.458 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.643 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -50.81 -15.96 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.389 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.9 pttm -53.65 -40.55 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.032 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 55.7 p30 -66.65 -34.26 77.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.681 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 7.9 tt -63.11 -42.18 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.631 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -77.43 -19.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.001 -179.714 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.758 -179.474 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.549 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 75.5 m-20 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 120.718 0.294 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 20.9 pt20 47.31 58.32 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.386 0.612 . . . . 0.0 109.753 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -54.35 -46.45 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.29 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.34 -50.72 72.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.791 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.733 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.8 mp -68.52 -40.16 80.9 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.986 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.5 tt -58.24 -44.82 88.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.527 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 30.4 m170 -59.93 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.269 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -61.67 -48.04 82.63 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.041 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -56.72 -52.93 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 tp -56.98 -52.7 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.08 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -55.88 -41.26 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.171 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' NH2' ' NE2' ' A' ' 57' ' ' HIS . 55.8 ttp85 -60.31 -33.41 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.296 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.478 ' NE2' ' NH2' ' A' ' 56' ' ' ARG . 83.4 m-70 -114.84 21.24 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.473 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 13.5 ptm180 -53.31 -34.43 57.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.093 0.473 . . . . 0.0 110.454 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.66 -29.14 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.722 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 5.3 ptt? -59.91 -27.36 66.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.237 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 15.7 p -62.09 -28.58 69.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.81 -11.79 60.49 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.486 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 5.2 mtpm? -85.86 18.45 2.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.722 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.52 -45.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.358 178.659 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt 70.9 -19.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.51 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.526 ' H ' ' C ' ' A' ' 64' ' ' TRP . 97.4 p -89.07 138.41 31.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.646 ' NZ ' HD11 ' A' ' 71' ' ' LEU . 47.2 tttm -66.07 -51.49 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.256 -0.884 . . . . 0.0 113.214 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -60.1 -37.82 81.12 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.927 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.419 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 81.1 m-20 -64.31 -47.46 79.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.774 -0.77 . . . . 0.0 109.743 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.519 HG12 ' CD1' ' A' ' 64' ' ' TRP . 88.2 mt -59.82 -43.57 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.361 -0.535 . . . . 0.0 110.871 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' NZ ' ' A' ' 67' ' ' LYS . 73.1 mt -53.81 -42.23 68.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.51 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.541 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 7.0 mptt -64.4 -50.88 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.6 mp -57.28 -39.6 76.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.747 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -58.01 -47.09 84.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.07 -41.72 97.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.621 ' O ' ' N ' ' A' ' 81' ' ' ASP . 76.8 mt-30 -68.77 -43.2 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -45.13 77.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.219 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -66.4 -42.76 87.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 81' ' ' ASP . 67.9 mttt -89.17 -4.8 58.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.531 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 77' ' ' GLN . 41.8 p30 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.6 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -75.38 151.82 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 111.419 -179.114 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.2 p -87.53 160.42 18.24 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.173 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.02 -42.44 72.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.202 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.6 -47.16 82.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 110.599 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.49 -39.24 91.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.027 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.433 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 7.5 t-105 -62.48 -43.8 97.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.741 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -55.43 -43.73 75.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.798 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.1 -39.76 87.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.6 -39.28 91.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.821 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.575 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 30.3 mttt -58.27 -42.11 85.77 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 179.468 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -61.26 -38.44 86.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.1 -46.34 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.103 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.531 ' CE1' HD22 ' A' ' 74' ' ' LEU . 37.4 m-85 -64.07 -46.56 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.879 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.79 HG23 HD22 ' A' ' 45' ' ' ASN . 94.9 mt -57.62 -50.93 75.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.395 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 m -56.76 -38.54 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.188 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.46 -35.49 66.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.436 HD12 HE21 ' A' ' 30' ' ' GLN . 8.7 mm -71.62 -41.09 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.372 -0.414 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.943 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -77.04 -28.1 54.67 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.22 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -79.23 -33.51 43.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.661 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 56.1 t-20 -100.13 156.68 17.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.454 0.645 . . . . 0.0 111.534 -179.084 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.661 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 22.4 tp10 -55.2 -21.18 12.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.555 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.436 HE21 HD12 ' A' ' 25' ' ' ILE . 27.6 mt-30 -48.41 -11.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 34' ' ' VAL . 16.8 pttp -56.78 -34.35 67.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.507 . . . . 0.0 110.186 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.16 -42.93 99.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.391 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' ' 33' ' ' LEU . 5.0 mp -66.9 -37.06 83.66 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.258 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -65.01 -38.0 81.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.111 -179.823 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 179.988 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.79 HD22 HG23 ' A' ' 22' ' ' ILE . 45.8 m-80 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 10.2 pt20 46.84 65.7 1.16 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.674 0.75 . . . . 0.0 110.148 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 15.2 mt -53.58 -47.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.795 -179.422 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -58.78 -47.36 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.527 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.42 -42.87 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.649 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -44.33 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.044 -179.579 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.575 ' CG ' ' HZ2' ' A' ' 18' ' ' LYS . 11.9 m170 -59.23 -48.89 79.92 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -59.95 -45.85 91.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.429 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 43.0 t90 -57.79 -57.49 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 110.641 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ARG . 9.2 tp -56.85 -50.91 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.091 -178.717 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -55.65 -41.87 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.02 -31.2 71.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.575 ' O ' ' SD ' ' A' ' 60' ' ' MET . 97.7 m-70 -116.59 18.99 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.749 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 ptm180 -55.02 -34.64 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.574 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 59.0 t0 -55.61 -26.13 42.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 111.113 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.731 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.8 ptt? -60.39 -32.68 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 62' ' ' GLU . 14.6 p -59.52 -30.24 68.44 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 110.091 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.8 mt-10 -74.94 -13.47 60.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.296 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -85.95 -62.0 1.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.731 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -82.45 -46.63 13.23 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.89 -179.052 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp 67.09 -14.69 0.17 Allowed 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.341 0.4 . . . . 0.0 111.528 -178.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 64' ' ' TRP . 34.5 p -92.39 136.29 33.32 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.752 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -65.76 -56.16 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.13 -36.29 77.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.673 -178.094 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 52.9 t0 -64.7 -50.91 65.09 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.695 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.529 HG12 ' CD1' ' A' ' 64' ' ' TRP . 25.2 mt -59.23 -43.41 89.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.523 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.12 -40.75 74.21 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.675 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -61.71 -45.69 92.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.512 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 18.1 mmmt -61.68 -50.75 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.721 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.531 HD22 ' CE1' ' A' ' 21' ' ' PHE . 6.0 mp -58.65 -38.93 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.582 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 79.1 m-20 -55.47 -47.13 76.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.43 -40.82 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.66 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -68.61 -44.0 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.552 -179.167 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.12 -42.39 85.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.239 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -68.08 -30.9 70.19 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.156 0.503 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 80' ' ' LYS . 13.8 ttpt -91.9 -6.97 50.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.087 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' GLN . 79.3 m-20 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.584 -179.437 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt . . . . . 0 C--O 1.232 0.143 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -76.4 149.13 36.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.439 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -80.21 157.2 26.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.406 -178.595 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -53.36 -43.04 67.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.008 -179.282 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.64 -45.89 88.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.49 -37.63 85.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.171 179.31 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.592 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 8.1 t-105 -62.33 -45.9 91.13 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.384 179.567 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.741 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 80.2 m-20 -56.66 -39.56 73.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.192 0.52 . . . . 0.0 110.209 179.317 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.592 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 54.1 tp -60.8 -40.56 93.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.651 179.172 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . 27.9 mttt -58.67 -44.18 90.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 110.429 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.741 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER -61.97 -41.78 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.511 -179.619 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -58.9 -42.44 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.02 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 71' ' ' LEU . 4.9 m-30 -66.26 -45.43 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.676 HG23 ' CG ' ' A' ' 45' ' ' ASN . 66.6 mt -57.93 -48.94 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.438 ' HA ' HD23 ' A' ' 26' ' ' LEU . 8.4 t -57.13 -43.09 82.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.435 179.261 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -37.18 92.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.43 ' HA ' HD13 ' A' ' 25' ' ' ILE . 28.1 mm -71.03 -44.52 75.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.208 -0.294 . . . . 0.0 110.208 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.818 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -71.19 -30.18 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.049 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 50.7 tp10 -76.25 -25.2 54.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.119 178.831 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -103.93 166.79 10.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.81 -26.93 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.03 178.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -53.21 -15.35 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -34.28 66.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -66.67 -42.26 86.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.62 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.3 mp -61.41 -36.76 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.248 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -62.35 -45.71 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.929 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.839 179.265 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.676 ' CG ' HG23 ' A' ' 22' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.52 -0.208 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 26.3 pt20 46.74 58.28 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.767 0.794 . . . . 0.0 109.053 -178.605 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.699 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 5.7 mt -43.12 -53.95 4.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.796 -178.741 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.58 -51.17 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.97 -41.32 91.33 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.828 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -58.59 -44.09 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.771 -179.294 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.699 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 18.6 m170 -58.23 -47.95 81.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.227 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -60.29 -47.84 84.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.01 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -60.07 -52.33 65.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.307 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -56.73 -51.25 69.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 70.2 m-20 -55.16 -42.93 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.401 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -61.86 -28.52 69.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.468 -179.119 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 60' ' ' MET . 46.1 m80 -104.19 15.9 27.39 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.786 0.327 . . . . 0.0 111.658 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.665 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.0 ptm180 -59.89 -35.82 75.65 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.201 -179.745 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.49 -50.67 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.802 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.752 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.1 ptm -62.97 -31.73 72.91 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.327 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.9 p -64.75 -27.89 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.443 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.18 -20.4 64.86 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 60' ' ' MET . 2.3 pttt -81.05 -66.28 0.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.785 -178.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.752 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -69.28 -32.69 72.02 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.289 -178.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp 47.06 -1.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.651 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.682 ' H ' ' C ' ' A' ' 64' ' ' TRP . 8.8 p -86.52 131.74 34.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.728 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.561 ' O ' HD23 ' A' ' 71' ' ' LEU . 34.3 tttm -63.25 -47.68 81.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.373 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -63.18 -41.56 99.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.941 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 69.8 m-20 -62.94 -52.03 64.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.576 HG22 HD13 ' A' ' 74' ' ' LEU . 71.5 mt -62.36 -45.12 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -179.129 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -57.13 -40.35 76.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.143 -179.572 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.614 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 78.2 t60 -61.51 -45.43 94.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.657 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 3.2 mptt -61.11 -47.97 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.717 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 HG22 ' A' ' 70' ' ' ILE . 8.1 mp -56.6 -46.25 80.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.279 179.761 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.677 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 23.1 m-20 -54.21 -47.07 72.53 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.661 -178.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.614 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.6 mp0 -70.4 -38.52 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -69.66 -41.91 74.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.529 ' HZ2' HE21 ' A' ' 46' ' ' GLN . 1.5 t-105 -55.42 -40.24 71.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.294 178.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.677 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 76.9 m-20 -68.02 -44.42 76.52 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 179.469 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -60.89 -30.04 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.188 179.562 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.0 mttm . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.993 0.425 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -77.96 142.8 38.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.116 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.1 p -84.04 160.48 20.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.822 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -51.13 -43.39 61.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.053 -179.346 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 77.3 m-20 -68.06 -45.04 74.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.08 -38.12 87.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.462 0.649 . . . . 0.0 109.28 178.784 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.1 t-105 -63.63 -48.01 79.01 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.795 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 94.1 m-20 -55.92 -41.74 75.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -60.89 -42.42 97.95 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.948 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.437 HD11 ' CE1' ' A' ' 21' ' ' PHE . 44.0 tp -58.75 -40.49 83.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.299 179.701 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 21.4 mttm -60.39 -45.09 94.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.795 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 1.9 mp0 -58.65 -43.82 89.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.067 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.09 -42.79 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.47 ' HZ ' HG21 ' A' ' 70' ' ' ILE . 4.4 m-30 -62.4 -50.22 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 109.443 179.319 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.548 HG23 ' OD1' ' A' ' 45' ' ' ASN . 85.5 mt -58.61 -47.46 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.617 179.035 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' GLU . 22.9 t -56.46 -44.51 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.202 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.01 -31.95 79.41 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.952 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.538 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 62.8 mt -73.71 -26.97 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.284 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.044 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -90.14 -27.21 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.213 178.483 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' SER . 45.3 tp10 -74.72 -46.28 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.765 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.33 162.44 22.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.959 0.409 . . . . 0.0 111.249 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.36 -17.89 23.57 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.897 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.482 HE22 ' CG ' ' A' ' 75' ' ' ASN . 92.9 mt-30 -57.43 -18.67 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.932 -178.667 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.0 pttt -52.8 -28.55 23.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.461 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -53.69 -33.08 54.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 111.546 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.18 -38.84 68.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.852 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.7 p -57.85 -40.32 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.659 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.755 0.312 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 59.7 51.36 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.607 179.518 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.705 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 36.8 mt -39.47 -56.02 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -58.42 -51.6 69.15 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.454 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.6 -36.04 75.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.658 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -46.41 90.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.566 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.705 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 81.7 m-70 -57.9 -48.99 78.25 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.784 0.326 . . . . 0.0 110.616 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.24 -50.25 72.49 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -57.26 -54.17 49.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.214 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.47 -51.33 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.587 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 59.6 m-20 -56.46 -39.27 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.635 -179.211 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.433 ' HD2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -67.04 -32.11 73.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 -179.677 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.513 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 24.5 m-70 -110.47 18.54 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.365 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.559 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.2 ptm180 -54.73 -34.37 62.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.25 179.496 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.65 -36.25 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.694 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.7 ptt? -55.6 -28.51 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.103 -179.469 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.9 p -60.99 -27.25 68.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.428 -179.506 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.01 -13.18 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.4 mmtt -86.49 17.3 3.9 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.89 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.694 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.11 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.208 179.201 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 51.39 14.43 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.313 -178.292 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' TRP . 55.2 p -89.95 -161.81 0.82 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.426 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.48 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 13.4 tttp -132.42 -65.14 0.74 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.616 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 71' ' ' LEU . 95.9 mt-10 -60.9 -38.67 86.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.623 -178.644 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 77.0 m-20 -63.62 -44.68 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.995 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.64 HG22 HD13 ' A' ' 74' ' ' LEU . 71.5 mt -58.34 -40.41 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.778 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 89.1 mt -56.94 -42.27 79.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.758 179.256 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.81 -43.1 98.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 110.149 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 77' ' ' GLN . 17.4 mmmt -63.21 -53.38 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 -179.551 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.64 HD13 HG22 ' A' ' 70' ' ' ILE . 7.9 mp -57.15 -38.58 73.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.606 -179.431 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.482 ' CG ' HE22 ' A' ' 30' ' ' GLN . 9.1 m120 -57.84 -46.17 85.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.217 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -64.45 -40.63 96.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.994 179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.607 ' O ' ' N ' ' A' ' 81' ' ' ASP . 99.3 mm-40 -72.64 -38.83 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.874 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.538 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 3.0 t-105 -53.94 -47.13 71.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.875 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -69.5 -34.59 74.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.992 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -84.97 -7.88 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.936 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 77' ' ' GLN . 88.3 m-20 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.581 ' HD3' HH12 ' A' ' 58' ' ' ARG . 10.7 mttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.428 0.632 . . . . 0.0 111.894 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -80.1 144.11 33.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.239 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.3 p -84.27 158.54 21.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.438 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.25 -42.2 69.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.054 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -65.72 -42.54 90.95 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.949 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -66.79 -38.07 85.81 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.483 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.415 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 t-105 -62.75 -48.11 80.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.068 -179.737 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.439 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 61.5 m-20 -57.93 -38.79 76.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.062 0.458 . . . . 0.0 110.207 179.278 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.07 -43.69 97.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.3 tp -62.96 -36.51 83.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.408 178.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . 25.9 mttt -58.94 -44.64 91.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.467 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.523 ' NE2' ' HB2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.87 -42.47 99.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.92 -179.596 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.13 -41.08 82.87 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.439 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.708 ' CE1' HD22 ' A' ' 74' ' ' LEU . 25.8 m-85 -65.38 -46.82 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.122 0.487 . . . . 0.0 109.791 178.837 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.475 HD12 ' OE1' ' A' ' 19' ' ' GLN . 97.7 mt -58.28 -39.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.7 m -59.01 -46.86 87.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.385 179.148 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.569 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . -65.84 -26.07 72.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.592 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 4.2 mm -72.56 -39.37 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.7 -24.99 23.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.77 -179.866 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -71.38 -37.4 71.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.587 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.697 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.4 p-10 -105.68 175.87 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -59.68 -26.47 65.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.911 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.697 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 35.2 mt-30 -49.96 -16.07 0.25 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.157 -179.625 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.711 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 1.3 pttm -56.38 -33.24 65.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.711 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 96.2 m-20 -68.8 -35.19 76.7 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.195 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.65 -41.53 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.466 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.504 HG23 ' OE1' ' A' ' 46' ' ' GLN . 4.1 p -70.91 -36.65 64.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.792 178.85 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.997 179.725 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' HA ' HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.483 0.182 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 50' ' ' LEU . 36.9 mt-30 63.9 42.34 6.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.754 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.628 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 17.7 mt -44.7 -51.49 9.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.461 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -61.02 -57.36 12.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.658 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -67.34 -42.16 84.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.719 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.6 tt -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.628 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 32.8 m170 -57.68 -50.32 73.57 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.13 -48.3 82.3 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.495 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.69 -53.4 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.342 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 21' ' ' PHE . 16.7 tp -57.95 -51.63 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.135 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -56.82 -42.74 80.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.657 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -62.51 -32.09 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 75.3 m-70 -110.77 14.93 22.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.666 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.612 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.5 ptm180 -53.44 -35.32 60.35 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.805 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -29.92 65.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 6.8 ptt? -57.27 -29.1 63.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -178.796 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 27.0 p -62.73 -28.19 69.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.681 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -71.25 -13.02 61.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 64.7 mmtt -86.88 17.78 3.87 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.246 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -175.37 -42.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.08 -0.648 . . . . 0.0 112.197 178.879 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 18.8 tttm 61.15 6.47 1.31 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.786 ' O ' HD12 ' A' ' 70' ' ' ILE . 90.6 p -86.83 161.8 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.745 179.487 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 74.4 tttt -93.69 -66.34 0.93 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.369 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -60.42 -45.29 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.122 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 22.7 t0 -60.05 -45.26 93.45 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.296 -178.288 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 66' ' ' SER . 59.7 mt -58.98 -41.25 82.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 88.9 mt -56.24 -40.95 74.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.361 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -62.58 -45.78 91.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 8.7 mmmm -63.22 -52.99 60.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.358 -179.277 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.708 HD22 ' CE1' ' A' ' 21' ' ' PHE . 8.4 mp -57.27 -41.19 79.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.164 -0.615 . . . . 0.0 110.303 -179.481 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.544 ' HA ' HE22 ' A' ' 30' ' ' GLN . 76.1 m-20 -55.46 -44.65 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.495 ' HG2' ' NZ ' ' A' ' 80' ' ' LYS . 68.8 tt0 -69.2 -38.8 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.052 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -70.56 -37.32 73.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.892 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.592 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.8 t90 -58.31 -43.88 88.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.868 179.036 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -65.14 -36.81 85.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.001 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.495 ' NZ ' ' HG2' ' A' ' 76' ' ' GLU . 45.0 mttp -78.98 -73.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.19 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.7 t0 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.725 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.823 0.345 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -74.42 147.88 41.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.247 0.546 . . . . 0.0 111.667 -179.08 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.0 p -83.12 161.2 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -54.24 -38.41 65.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.58 -49.59 65.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.753 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.704 0.764 . . . . 0.0 109.418 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.522 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.8 t-105 -63.12 -49.72 73.29 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.138 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -55.06 -38.69 68.34 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.462 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.29 -43.79 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.286 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 21' ' ' PHE . 57.6 tp -59.79 -38.68 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.404 179.105 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 27.6 mttt -60.78 -47.78 84.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.951 -179.082 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -60.51 -40.06 90.07 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.218 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -61.75 -44.89 96.03 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -62.42 -45.32 93.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.66 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.74 -50.14 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.219 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -56.93 -38.28 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.819 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.66 -32.6 83.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.704 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 6.6 mm -67.56 -33.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.781 -0.21 . . . . 0.0 110.586 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.832 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -88.09 -20.99 24.95 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.168 179.424 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -72.23 -34.26 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -95.9 146.44 24.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.365 0.603 . . . . 0.0 111.614 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -59.24 -26.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -52.75 -17.47 1.36 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.4 pttp -49.7 -22.32 1.33 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.78 0.8 . . . . 0.0 109.697 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -54.75 -42.05 71.15 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.015 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.58 -52.94 62.33 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.12 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 31' ' ' LYS . 4.6 p -60.88 -28.49 43.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.266 0.555 . . . . 0.0 110.204 -179.303 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.397 179.482 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 51.8 m-80 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 14.6 pt20 49.65 64.11 1.89 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.905 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 13.6 mt -52.31 -46.96 66.18 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.526 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 6.6 p-10 -59.17 -52.48 65.53 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.088 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.437 ' HB2' ' OE1' ' A' ' 46' ' ' GLN . 35.8 mt -66.81 -38.26 86.13 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.296 179.677 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.5 OUTLIER -59.3 -46.67 87.92 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.048 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.1 m170 -59.86 -50.13 74.99 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.81 -48.57 81.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.476 ' CZ2' ' NE2' ' A' ' 77' ' ' GLN . 63.0 t90 -57.59 -55.63 32.33 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.108 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.2 tp -56.28 -50.52 71.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -55.13 -45.54 75.57 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.508 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -61.91 -31.07 71.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' A' ' 60' ' ' MET . 22.1 m80 -110.77 14.61 22.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.466 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.479 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 14.9 ptm180 -54.41 -34.42 61.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 111.011 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.85 -27.58 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.722 179.461 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.76 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 9.8 ptm -59.11 -29.08 67.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 10.1 p -60.77 -27.3 67.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.288 -179.657 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -75.52 -12.76 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.061 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.5 mttp -86.96 20.84 2.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.76 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.0 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 178.153 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 tttm 62.32 49.47 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.946 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.635 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 27.7 p -147.31 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.198 -178.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 46.1 tttm -99.55 -61.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.802 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -59.23 -41.59 89.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.23 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 23.8 t0 -63.32 -47.93 80.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.455 -179.331 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.635 ' CD1' ' O ' ' A' ' 66' ' ' SER . 42.3 mt -60.65 -40.78 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.296 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.483 HD21 ' CD1' ' A' ' 21' ' ' PHE . 56.1 mt -58.8 -42.32 88.84 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.169 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.37 -44.7 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.731 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 73' ' ' LYS . 1.7 mmmm -60.6 -50.14 74.73 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 70' ' ' ILE . 10.1 mp -54.88 -43.61 73.34 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.086 -179.367 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -57.95 -46.56 84.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.212 -179.381 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.83 -39.49 90.88 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.733 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.476 ' NE2' ' CZ2' ' A' ' 53' ' ' TRP . 16.2 tt0 -71.78 -41.54 68.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.704 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.5 t90 -54.1 -42.94 69.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.499 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -71.2 -43.2 67.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.408 0.623 . . . . 0.0 109.883 179.558 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -62.45 -34.42 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.405 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.832 -178.976 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.8 mttm . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.437 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 73.8 m-85 -77.79 144.88 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.86 179.524 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 68.6 p -81.7 159.7 23.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.677 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 92.9 m-20 -53.84 -40.81 66.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.316 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.604 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 75.0 m-20 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.929 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.645 0.735 . . . . 0.0 109.641 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.483 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.2 t-105 -63.29 -46.14 88.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.782 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.744 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 57.4 m-20 -54.41 -39.92 67.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.952 0.406 . . . . 0.0 110.431 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.604 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.6 mp0 -64.33 -42.5 96.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.882 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 21' ' ' PHE . 33.2 tp -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.9 178.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.506 ' HZ3' ' HA ' ' A' ' 51' ' ' HIS . 25.9 mttt -60.36 -46.95 88.13 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.873 179.749 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.744 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 1.6 mp0 -59.65 -40.22 86.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.121 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.0 m-30 -62.61 -44.59 95.91 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.725 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.5 mt -57.12 -51.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.516 178.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -56.09 -35.27 66.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.37 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.65 -42.15 97.71 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.441 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 1.2 mp -75.24 -23.95 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -92.04 -26.39 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.229 -179.562 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -31.4 50.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.94 178.527 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 37.6 p30 -100.59 -177.13 3.4 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.416 0.627 . . . . 0.0 111.828 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.97 -25.65 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.413 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -51.5 -15.33 0.41 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -56.28 -39.82 73.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.989 0.423 . . . . 0.0 110.979 -179.711 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -59.49 -40.18 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.182 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.1 mp -59.69 -39.77 85.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.184 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -64.4 -42.55 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.413 179.058 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 -179.62 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 . . . . . 0 N--CA 1.461 0.089 0 CA-C-O 120.697 0.284 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' LEU . 30.6 mt-30 61.34 46.93 7.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.787 179.416 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.549 HD23 ' NE2' ' A' ' 51' ' ' HIS . 5.9 mt -36.51 -54.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.573 -179.033 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 49' ' ' LEU . 46.8 p-10 -61.25 -49.14 78.31 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -177.796 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.562 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 53.7 mt -70.1 -42.25 72.95 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.716 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.695 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -60.52 -45.06 95.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 -179.181 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.549 ' NE2' HD23 ' A' ' 47' ' ' LEU . 17.2 m170 -58.15 -48.77 79.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.45 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.55 -45.9 92.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -56.39 -56.29 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.411 -178.807 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 65.9 m-20 -57.46 -43.26 83.84 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -62.54 -30.31 71.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.747 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.587 ' O ' ' SD ' ' A' ' 60' ' ' MET . 2.8 m-70 -111.65 19.78 17.75 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.914 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.67 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.5 ptm180 -56.23 -33.03 65.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.819 0.342 . . . . 0.0 111.303 178.871 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -53.89 -36.01 62.21 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.5 -178.795 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.589 ' HG3' ' HE1' ' A' ' 64' ' ' TRP . 3.2 ptt? -58.19 -29.09 65.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.373 -178.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.67 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -64.89 -28.36 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.083 0.468 . . . . 0.0 110.892 -179.261 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -69.67 -22.47 63.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.85 -76.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.044 -179.41 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.733 ' O ' ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -82.17 31.97 0.39 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.535 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' TRP . 80.1 tttt -30.76 77.59 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.916 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 64' ' ' TRP . 2.9 p -162.37 113.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.139 179.089 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.8 tttm -47.02 -63.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.76 -39.91 86.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.008 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 61.5 m-20 -65.74 -44.74 85.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.976 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.607 HG22 HD22 ' A' ' 74' ' ' LEU . 80.9 mt -58.11 -45.8 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.968 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 87.8 mt -55.8 -41.45 74.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.707 ' C ' ' HD1' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -64.25 -51.82 61.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.023 179.634 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.466 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 26.1 mmmt -58.2 -51.57 69.19 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.083 -179.416 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD22 HG22 ' A' ' 70' ' ' ILE . 5.6 mp -57.79 -39.83 78.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.866 179.585 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.551 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 83.7 m-20 -57.52 -43.77 84.55 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.415 179.475 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -67.06 -38.54 85.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.31 -42.7 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.933 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.441 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 1.8 t90 -56.51 -40.25 74.69 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.758 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.511 ' OD1' ' CD2' ' A' ' 33' ' ' LEU . 31.6 m-20 -64.54 -39.97 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.723 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 81' ' ' ASP . 18.7 mmtm -84.98 -3.82 58.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.853 179.461 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' A' ' 80' ' ' LYS . 47.2 t0 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.714 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.4 mttt . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -75.2 152.72 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -85.47 160.81 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.129 179.342 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.05 -39.53 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.15 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -65.4 -46.71 78.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.988 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -64.85 -38.99 92.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.033 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.625 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 7.3 t-105 -62.1 -47.07 86.24 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.451 179.679 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -54.6 -40.3 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.169 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -64.82 -43.63 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.095 179.368 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 21' ' ' PHE . 17.5 tp -65.51 -42.22 92.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.882 178.773 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HD3' HD23 ' A' ' 54' ' ' LEU . 11.9 mtmt -61.9 -43.93 97.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.465 -179.822 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.23 -40.38 97.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.46 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -60.28 -43.88 95.85 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.11 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.71 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -60.89 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.848 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.7 mt -58.97 -46.8 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.424 178.192 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.9 m -56.5 -44.02 80.31 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.18 -31.74 81.85 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.558 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 18.5 mt -71.95 -43.49 68.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.26 -23.31 51.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.194 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -73.85 -38.62 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.089 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.558 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 57.3 p30 -90.42 161.54 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.142 0.496 . . . . 0.0 111.891 -178.835 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.609 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.5 tt0 -63.24 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.637 179.481 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -55.01 -4.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.609 ' H ' ' C ' ' A' ' 29' ' ' GLU . 23.6 pttm -61.14 -28.9 69.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.621 179.413 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -58.38 -36.51 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 33' ' ' LEU . 5.3 mp -62.06 -46.92 87.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.509 -179.244 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 31' ' ' LYS . 7.6 p -70.2 -32.33 50.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.178 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.589 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.574 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.4 m120 . . . . . 0 N--CA 1.462 0.169 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 45' ' ' ASN . 16.6 pt20 46.4 59.57 3.77 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.844 0.831 . . . . 0.0 110.453 -179.077 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.39 -50.31 65.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.931 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.54 -51.06 71.06 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.722 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.6 -45.18 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.668 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.9 tt -59.21 -40.18 84.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.225 -178.704 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.58 -47.43 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.01 179.645 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -61.64 -46.72 88.56 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.12 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -58.3 -57.18 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.103 0.477 . . . . 0.0 110.39 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.531 HD23 ' HD3' ' A' ' 18' ' ' LYS . 13.4 tp -55.55 -48.96 73.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.209 -179.056 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.625 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 98.5 m-20 -57.84 -44.78 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.811 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -60.06 -29.11 68.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 110.591 -179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 60' ' ' MET . 82.5 m-70 -113.75 20.25 16.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.423 -179.543 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -54.11 -35.48 62.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -58.13 -31.91 67.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.701 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.0 ptt? -59.33 -29.28 67.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -63.67 -28.81 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.043 0.449 . . . . 0.0 110.365 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' HE3' ' A' ' 65' ' ' LYS . 94.4 mt-10 -74.08 -12.39 60.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.997 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.12 -56.3 4.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.642 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -86.19 -30.94 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.537 -179.354 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.408 ' HE3' ' O ' ' A' ' 62' ' ' GLU . 13.1 mmtp 62.97 -11.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.137 -179.181 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 64' ' ' TRP . 5.1 p -96.2 131.0 43.13 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.212 0.53 . . . . 0.0 111.614 -179.467 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -65.98 -53.72 35.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -60.87 -38.12 84.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.581 -0.448 . . . . 0.0 112.046 -177.898 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.27 -44.39 95.25 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.432 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.576 ' O ' HD13 ' A' ' 74' ' ' LEU . 69.2 mt -58.3 -45.77 89.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.176 -179.642 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 71' ' ' LEU . 67.0 mt -55.78 -39.61 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.698 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.08 -46.54 89.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.9 mmmt -60.13 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.909 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 70' ' ' ILE . 9.0 mp -57.8 -45.5 85.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.203 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -53.84 -45.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.69 -179.51 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -71.08 -40.32 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.005 -179.562 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -70.71 -36.31 73.18 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.577 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 5.4 t-105 -51.1 -31.64 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.753 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.11 -10.58 60.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.062 0.458 . . . . 0.0 109.948 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -84.49 -12.07 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.854 179.413 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.577 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 42.0 p30 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.412 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.907 0.384 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -75.99 144.83 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.617 -179.303 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 14' ' ' TRP . 44.2 p -79.56 162.58 25.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -57.17 -40.53 77.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.371 179.465 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.59 -46.6 85.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.91 -40.08 87.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.682 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.434 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 9.2 t-105 -62.79 -49.0 76.7 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.221 179.537 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.717 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 17.9 m-20 -56.18 -39.56 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.463 179.297 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -62.38 -43.9 97.72 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 21' ' ' PHE . 65.2 tp -60.54 -38.04 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.592 179.173 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' NZ ' ' CG ' ' A' ' 51' ' ' HIS . 30.4 mttt -58.5 -44.2 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.854 179.58 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.717 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -57.48 -43.89 84.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.849 -179.865 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.61 -44.92 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.4 m-30 -62.89 -47.67 82.31 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.317 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.797 HG23 ' CG ' ' A' ' 45' ' ' ASN . 59.8 mt -58.22 -51.14 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.607 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 28.9 t -55.98 -41.9 75.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.83 -40.28 94.92 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.83 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 21' ' ' PHE . 16.7 mm -72.11 -39.98 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.625 -179.691 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.872 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -74.43 -29.15 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.354 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 23' ' ' SER . 91.5 mt-10 -73.5 -34.67 65.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 179.834 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -89.31 146.7 24.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -55.75 -24.88 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.144 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -48.88 -17.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.732 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -51.78 -25.31 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.403 -178.876 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -54.39 -30.59 52.64 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.274 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.614 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.896 179.487 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 t -63.41 -42.16 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.171 0.51 . . . . 0.0 109.808 179.292 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.049 -179.305 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.797 ' CG ' HG23 ' A' ' 22' ' ' ILE . 31.7 m120 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.609 0.242 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 14.7 mt-30 63.36 41.81 7.35 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.102 179.096 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -38.3 -58.64 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.66 -51.75 68.26 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.877 -177.854 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.7 mm? -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.372 179.501 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.5 tt -58.09 -44.91 87.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 -178.62 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CG ' ' NZ ' ' A' ' 18' ' ' LYS . 30.9 m170 -61.58 -46.18 90.95 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.098 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -61.01 -50.54 72.95 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -56.08 -55.33 34.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.562 0.696 . . . . 0.0 109.598 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.4 -53.67 54.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.113 -179.817 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -54.52 -39.67 67.85 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -65.9 -32.34 73.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.341 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' MET . 63.5 m80 -110.17 13.88 23.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.758 -179.211 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.49 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.9 ptm180 -50.26 -33.82 21.07 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -58.1 -28.74 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.862 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.92 -29.41 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.281 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.1 p -63.18 -29.95 71.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.899 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' HG2' ' SG ' ' A' ' 61' ' ' CYS . 73.4 mm-40 -76.54 -12.53 60.04 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.352 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 76.2 mttt -83.98 20.38 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.49 -43.58 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.94 178.501 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 13.0 tttp 72.86 -15.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.424 179.72 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 64' ' ' TRP . 5.1 p -89.14 126.79 35.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.447 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -59.18 -50.38 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -58.96 -40.62 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -176.692 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 72.4 m-20 -65.89 -45.1 83.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.303 0.573 . . . . 0.0 110.239 179.641 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.526 HG12 ' CD1' ' A' ' 64' ' ' TRP . 79.1 mt -57.19 -47.69 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.722 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 71' ' ' LEU . 86.5 mt -59.28 -41.01 87.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.705 -179.4 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -57.85 -42.02 83.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.017 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 4.4 mptp? -64.94 -49.64 69.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.316 179.006 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.15 -39.89 79.94 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.298 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.87 -49.29 75.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -38.65 90.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.037 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 98.4 mm-40 -68.77 -40.52 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.111 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.82 -42.9 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 0.0 109.913 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.66 -42.51 97.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.553 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -87.34 -1.03 57.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.705 179.853 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 80' ' ' LYS . 60.9 t0 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.461 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.909 0.385 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -77.34 145.83 37.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.811 179.372 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p -82.45 162.63 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.978 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -55.51 -42.99 75.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.029 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.716 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 89.2 m-20 -62.05 -46.78 87.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.315 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.87 -41.81 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.538 0.685 . . . . 0.0 109.482 179.036 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.552 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 4.2 t-105 -62.73 -47.23 84.47 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.709 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -54.43 -39.48 67.41 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.869 -0.333 . . . . 0.0 111.321 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.716 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -65.59 -41.98 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.969 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.552 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 19.2 tp -60.69 -35.36 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.942 179.005 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.532 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 29.3 mttt -61.68 -48.19 81.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.331 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.85 -39.06 87.72 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.748 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.2 -43.65 92.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.977 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 54' ' ' LEU . 5.9 m-30 -68.32 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.165 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.422 ' CD1' HD22 ' A' ' 47' ' ' LEU . 96.8 mt -58.85 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.607 178.659 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -56.12 -45.99 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.668 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.08 -33.34 74.11 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.631 HG21 HG21 ' A' ' 34' ' ' VAL . 18.9 mm -71.86 -37.9 63.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 O-C-N 122.624 -0.339 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.36 -33.08 37.55 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.154 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 76.9 mm-40 -72.46 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.561 179.172 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.2 p30 -95.02 167.03 11.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.33 0.586 . . . . 0.0 111.477 -179.57 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.1 tt0 -56.07 -30.3 61.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.289 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' OE1' ' CB ' ' A' ' 75' ' ' ASN . 10.4 mt-30 -50.69 -6.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.147 -178.394 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' GLU . 11.4 ttmm -57.01 -42.84 81.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -63.02 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 33' ' ' LEU . 26.7 tp -60.96 -42.98 99.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.293 0.568 . . . . 0.0 110.403 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -67.35 -38.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.337 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.325 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 11.8 m120 . . . . . 0 CA--C 1.518 -0.282 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 22.8 pt20 47.57 41.06 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.32 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 22' ' ' ILE . 44.5 mt -56.19 -43.36 78.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.43 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.03 -45.89 86.2 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.417 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.62 -38.63 89.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.477 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.9 tt -58.15 -44.81 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.215 -179.691 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.532 ' ND1' ' HD3' ' A' ' 18' ' ' LYS . 25.5 m-70 -57.5 -47.72 81.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.229 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -62.95 -47.97 80.9 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -56.15 -51.92 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.428 0.633 . . . . 0.0 109.329 179.352 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 21' ' ' PHE . 17.3 tp -58.99 -53.15 61.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.078 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -54.97 -41.1 70.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 58.9 ttp180 -65.2 -32.09 73.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.469 ' CE1' ' HE ' ' A' ' 56' ' ' ARG . 3.2 m-70 -109.04 16.72 22.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.294 -179.316 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.666 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.4 ptm180 -53.6 -33.77 56.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.843 0.354 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.56 -31.74 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.491 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.69 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.9 ptt? -57.74 -27.79 63.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -179.044 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 21.5 p -60.91 -28.74 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.978 0.418 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -75.03 -15.42 60.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.996 -179.188 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -85.11 17.15 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.531 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.69 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -28.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.775 178.44 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 mttm 52.29 14.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.328 0.585 . . . . 0.0 109.549 -179.256 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 82.6 p -92.44 157.82 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.241 179.051 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' O ' HD23 ' A' ' 71' ' ' LEU . 23.8 tttt -99.42 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 0.0 111.259 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HG2' ' H ' ' A' ' 68' ' ' GLU . 2.4 pt-20 -59.02 -38.79 80.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.79 -178.319 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.485 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 74.9 m-20 -62.71 -42.12 99.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.25 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 66' ' ' SER . 73.1 mt -59.96 -42.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.761 179.282 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -53.14 -42.15 65.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.634 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -58.87 -42.42 89.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.803 178.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.8 mmmt -63.26 -52.84 60.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.8 mp -57.55 -38.97 75.62 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.178 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.408 ' CB ' ' OE1' ' A' ' 30' ' ' GLN . 95.0 m-20 -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.479 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.17 -38.75 88.83 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.628 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.06 -40.41 75.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.888 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.435 ' CZ2' HG23 ' A' ' 34' ' ' VAL . 2.2 t-105 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -63.96 -46.17 85.89 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -58.95 -31.96 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.28 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.49 179.684 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -72.98 155.24 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.339 -179.61 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.6 p -84.25 159.79 20.9 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.101 -179.445 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -54.29 -41.46 68.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.174 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.534 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 55.6 m-20 -64.93 -47.16 78.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.583 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.1 -40.28 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.1 t-105 -60.17 -43.23 96.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.621 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 89.6 m-20 -54.95 -40.28 69.81 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.578 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -62.37 -44.78 95.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.773 179.701 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 18.1 tp -60.65 -39.37 88.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.386 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 23.8 mttm -60.75 -47.94 84.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.621 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -59.74 -40.5 88.31 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.609 -179.488 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.26 -47.0 88.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.371 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 70' ' ' ILE . 4.6 m-30 -62.75 -47.28 84.23 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.402 . . . . 0.0 110.315 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.593 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.7 mt -57.48 -47.99 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.197 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.1 m -56.74 -41.4 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.69 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.0 65.47 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.634 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 31.8 mm -67.27 -35.82 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 117.435 0.618 . . . . 0.0 110.043 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -83.02 -20.72 34.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.907 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -71.82 -36.19 70.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.636 179.141 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.634 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.1 p-10 -93.94 153.75 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.758 179.23 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.67 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.556 -178.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -49.56 -21.32 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.974 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -52.85 -22.27 5.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.636 -179.167 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 49.2 t0 -59.72 -36.27 76.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.822 179.245 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 33' ' ' LEU . 6.8 mp -65.39 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.05 179.039 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -63.85 -44.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.345 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.48 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.134 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.624 ' O ' ' OE1' ' A' ' 46' ' ' GLN . 6.8 m120 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.624 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 55.99 47.28 20.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.79 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 46' ' ' GLN . 3.4 mt -31.9 -53.89 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -178.61 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -59.25 -52.88 63.75 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.31 -41.54 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.848 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.4 tt -57.47 -43.23 83.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.035 -178.605 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 19.2 m170 -59.04 -47.82 83.84 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.403 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -58.62 -46.96 85.94 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.197 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.421 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 52.3 t90 -57.94 -52.5 65.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.608 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.09 -50.76 68.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.718 -179.462 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -56.61 -43.27 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.834 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.85 -32.35 70.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.701 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' MET . 71.0 m-70 -118.21 23.84 11.34 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.673 -179.327 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.1 ptm180 -54.5 -34.95 62.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.119 0.485 . . . . 0.0 111.043 179.354 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.82 -32.3 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.171 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.5 ptt? -57.73 -27.77 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.664 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.3 p -60.29 -28.31 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.969 -178.829 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.27 -12.17 60.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -178.606 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.543 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 20.5 mtpp -86.66 21.71 2.11 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.23 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.67 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.66 178.679 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 16.4 tttp 67.15 -28.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.58 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.674 ' H ' ' C ' ' A' ' 64' ' ' TRP . 18.1 p -83.09 130.98 35.17 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.661 179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -67.28 -38.76 85.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.276 -179.143 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -59.61 -39.78 85.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.923 -178.724 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.567 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 42.7 t0 -64.18 -50.08 69.55 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.818 178.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.682 HG22 HD22 ' A' ' 74' ' ' LEU . 90.4 mt -57.88 -42.63 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.149 -179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.539 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 42.0 mt -56.87 -42.81 80.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -63.94 -50.4 68.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.057 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.567 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -59.0 -50.14 75.23 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.698 179.431 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.682 HD22 HG22 ' A' ' 70' ' ' ILE . 5.7 mp -59.18 -38.12 79.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.408 179.645 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.539 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 69.6 m-20 -55.36 -46.67 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.543 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.5 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 86.4 mt-10 -68.53 -39.96 80.96 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' ASP . 81.5 mt-30 -68.54 -40.8 80.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.73 179.248 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.23 -43.01 70.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.958 179.54 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -68.89 -35.98 77.52 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 76' ' ' GLU . 28.3 mtmm -84.85 -6.18 59.34 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.144 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' GLN . 65.1 t0 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.859 -1.067 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.951 0.405 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -77.43 140.6 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.0 p -85.04 167.23 16.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -53.64 -41.01 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.077 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.59 -45.95 77.57 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.012 0.434 . . . . 0.0 110.046 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.05 -40.34 94.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 0.0 109.62 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.554 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 6.3 t-105 -64.2 -47.07 81.17 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.281 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -54.42 -39.49 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.331 0.586 . . . . 0.0 110.125 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -64.32 -42.59 96.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 17.9 tp -60.71 -39.56 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.868 179.395 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 29.4 mttt -59.53 -45.14 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.08 179.751 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -59.2 -42.61 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.697 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.74 -43.51 98.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.227 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE2' HD21 ' A' ' 74' ' ' LEU . 3.3 m-30 -63.18 -46.87 85.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.112 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.76 -48.3 86.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.497 178.346 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.8 t -56.41 -43.69 79.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.29 92.93 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.443 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 19.4 mm -71.08 -39.41 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.902 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.67 -24.69 38.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.983 179.493 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 27' ' ' GLU . 8.2 tm-20 -71.42 -38.65 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.345 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 30' ' ' GLN . 48.2 p30 -88.9 159.84 17.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.153 0.501 . . . . 0.0 111.377 -179.519 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 31' ' ' LYS . 86.5 tt0 -62.36 -30.23 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.542 179.439 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.482 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 87.9 mt-30 -55.81 -3.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.177 -179.671 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 34' ' ' VAL . 58.4 pttt -56.94 -29.56 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.978 0.418 . . . . 0.0 109.984 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -57.58 -38.75 75.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.8 mt -56.59 -46.5 80.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.744 -178.766 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 31' ' ' LYS . 3.9 p -73.71 -37.23 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.071 -179.426 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.628 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 46' ' ' GLN . 13.4 m120 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' A' ' 50' ' ' LEU . 45.6 mt-30 67.14 39.54 3.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.129 179.431 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 46' ' ' GLN . 9.4 mt -37.93 -55.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.41 -57.4 12.92 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.197 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.5 mp -67.33 -40.42 85.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.433 -179.831 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.1 tt -58.32 -43.05 88.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.671 -179.551 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.479 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 30.2 m170 -58.23 -49.75 75.97 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.312 -179.878 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.33 -47.85 84.0 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.446 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -55.79 -56.42 20.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.909 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 18' ' ' LYS . 25.3 tp -55.95 -50.87 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.467 -179.306 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.092 -178.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -62.54 -32.79 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.248 0.547 . . . . 0.0 110.68 -179.613 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -111.03 18.09 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.972 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.519 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.8 ptm180 -52.08 -32.38 34.59 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.034 0.445 . . . . 0.0 110.347 179.302 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' A' ' 60' ' ' MET . 39.4 p30 -54.44 -26.36 30.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.241 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.743 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 11.4 ptp -54.36 -37.46 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.279 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.5 p -66.47 -29.07 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.588 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.19 -24.35 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.952 179.438 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -80.19 -53.44 6.67 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.575 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -95.56 -25.86 16.01 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.835 -179.77 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 18.0 tttp 55.56 -2.51 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.183 0.516 . . . . 0.0 110.072 -179.29 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.627 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.4 p -82.16 166.17 19.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.161 0.505 . . . . 0.0 111.918 -179.264 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -104.47 -72.25 0.71 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.856 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.81 -37.97 86.4 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.544 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 98.0 m-20 -62.0 -43.53 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.727 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.627 ' CD1' ' O ' ' A' ' 66' ' ' SER . 27.2 mt -60.44 -43.25 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.32 -40.9 71.71 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.791 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -59.72 -43.02 94.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.413 0.625 . . . . 0.0 109.768 179.549 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -61.18 -51.49 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.59 179.749 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD21 ' CE2' ' A' ' 21' ' ' PHE . 7.9 mp -55.75 -38.72 70.2 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.77 -46.36 74.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.404 -0.518 . . . . 0.0 109.911 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.82 -40.16 83.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.3 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 81' ' ' ASP . 84.6 mm-40 -70.16 -40.68 74.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 0.0 110.123 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.548 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 1.7 t-105 -55.92 -42.68 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.744 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -71.45 -34.41 70.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.483 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 4.9 ttmm -84.36 -12.52 54.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.548 ' OXT' ' O ' ' A' ' 78' ' ' TRP . 9.5 m-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.446 -179.843 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.875 0.369 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -75.99 144.71 40.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -82.0 160.17 23.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.793 -179.19 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -54.18 -43.34 70.59 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.011 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.483 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 86.0 m-20 -67.24 -44.81 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.782 179.68 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.692 . . . . 0.0 109.303 179.198 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.575 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 6.7 t-105 -62.23 -46.43 88.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.189 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -54.98 -40.7 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 8.1 mp0 -63.17 -44.06 96.53 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.827 HD11 ' CE1' ' A' ' 21' ' ' PHE . 55.5 tp -58.78 -39.29 80.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.001 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 22' ' ' ILE . 29.5 mttt -59.17 -45.54 90.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.279 179.618 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -59.83 -42.35 93.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.497 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -60.75 -43.06 98.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.8 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.827 ' CE1' HD11 ' A' ' 17' ' ' LEU . 6.4 m-30 -66.53 -43.91 83.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.308 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.71 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.5 mt -57.71 -50.34 77.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.17 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -57.89 -42.72 85.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.49 -34.48 89.55 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.81 -42.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.039 -179.852 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -75.9 -28.15 57.97 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.368 0.604 . . . . 0.0 109.583 178.877 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 22.9 tp10 -74.09 -25.25 59.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.097 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -97.84 160.44 14.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 0.0 111.548 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -60.15 -30.65 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.356 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -55.49 -8.99 0.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.257 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 10.7 pttm -55.5 -39.89 71.05 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.379 0.609 . . . . 0.0 109.599 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 87.9 m-20 -58.3 -44.35 88.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.222 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.69 -48.05 78.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.642 -179.258 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.662 HG21 ' HA ' ' A' ' 45' ' ' ASN . 2.7 p -65.55 -34.21 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.035 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.353 -179.715 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.71 ' OD1' HG23 ' A' ' 22' ' ' ILE . 1.5 m120 . . . . . 0 C--O 1.226 -0.164 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.646 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 62.05 41.72 10.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.272 -179.735 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD21 HD11 ' A' ' 22' ' ' ILE . 4.5 mt -38.19 -58.52 0.97 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.881 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -56.67 -51.21 69.64 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.218 -177.871 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 mp -68.99 -33.49 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.493 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -57.86 -46.34 84.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.858 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -59.12 -45.03 91.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.96 -53.24 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.919 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -60.44 -51.58 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.004 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.14 -52.74 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.743 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -55.51 -41.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.439 -179.388 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -61.41 -32.93 72.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.339 -179.627 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.8 m-70 -113.27 19.58 16.93 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.578 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.3 ptm180 -53.08 -34.43 56.55 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.379 0.609 . . . . 0.0 110.41 179.007 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -55.91 -34.56 65.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.266 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.775 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptt? -55.58 -28.25 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.393 -178.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.0 p -61.81 -28.99 69.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.697 0.284 . . . . 0.0 111.764 -178.627 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.38 -12.48 60.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.067 -179.27 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 45.7 mtpt -86.7 16.24 4.93 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.775 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.42 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.018 0.437 . . . . 0.0 110.064 178.001 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mttm 51.69 2.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.329 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.637 ' H ' ' C ' ' A' ' 64' ' ' TRP . 13.1 p -88.59 163.6 15.77 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.702 178.584 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -96.1 -63.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -178.064 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.06 -35.17 79.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.792 -177.793 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.409 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 77.5 m-20 -65.69 -45.68 81.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.989 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 66' ' ' SER . 55.5 mt -60.69 -39.77 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 71' ' ' LEU . 78.4 mt -57.8 -39.67 78.1 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.646 179.495 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.24 -46.49 90.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.432 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.9 mmtt -61.55 -53.62 53.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.556 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -57.79 -36.99 72.93 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.366 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -58.92 -43.42 91.12 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.778 179.742 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -63.72 -39.78 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.611 ' O ' ' N ' ' A' ' 81' ' ' ASP . 73.8 mt-30 -73.89 -36.17 64.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.29 0.567 . . . . 0.0 110.304 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.52 ' CZ2' ' OE1' ' A' ' 46' ' ' GLN . 3.9 t-105 -54.38 -45.65 72.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.692 179.823 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -74.75 -34.4 62.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.411 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -91.22 -73.25 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 77' ' ' GLN . 28.5 t70 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.865 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttm . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.034 0.445 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -75.72 155.61 35.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -86.19 158.53 19.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.536 -179.623 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -52.86 -38.64 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.774 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.9 m-20 -65.5 -49.7 68.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.326 0.584 . . . . 0.0 110.491 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.14 -35.39 80.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.034 179.006 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.462 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 6.8 t-105 -63.56 -45.66 89.49 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -56.35 -38.44 71.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.48 0.657 . . . . 0.0 109.812 179.36 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.731 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.86 -42.07 99.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.07 -38.13 85.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.813 178.829 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 31.0 mttt -61.3 -44.95 96.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 179.596 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.71 -41.87 91.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.038 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -63.14 -41.35 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.165 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -66.96 -44.17 81.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.667 HG23 ' CG ' ' A' ' 45' ' ' ASN . 93.3 mt -57.65 -51.89 64.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.568 ' HA ' HD23 ' A' ' 26' ' ' LEU . 50.1 m -53.79 -34.76 60.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.071 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.4 -35.69 82.56 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.3 mm -73.31 -32.68 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.21 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.862 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.39 -28.1 25.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.76 179.793 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 48.3 tp10 -75.16 -33.39 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.692 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -97.42 164.85 12.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.249 179.355 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -61.06 -19.99 62.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.297 179.575 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -47.99 -16.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.268 -178.945 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 9.9 pttm -58.88 -33.53 70.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.634 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 94.8 m-20 -64.72 -41.0 96.3 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.103 179.196 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.46 HD13 ' OD1' ' A' ' 79' ' ' ASN . 54.0 mt -60.39 -36.44 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.501 179.598 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -62.34 -49.51 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.018 -179.88 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.414 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.014 -179.693 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.667 ' CG ' HG23 ' A' ' 22' ' ' ILE . 1.3 m-80 . . . . . 0 CA--C 1.518 -0.268 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 71.9 mt-30 60.53 45.02 11.11 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.333 178.874 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 1.8 mt -43.19 -53.84 4.83 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.93 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.76 -54.78 42.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.27 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.602 ' H ' HD12 ' A' ' 49' ' ' LEU . 4.7 mp -68.28 -40.69 81.75 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.787 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.4 tt -59.64 -44.79 93.37 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -58.19 -50.68 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.628 -179.444 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -61.36 -45.37 94.68 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.955 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.479 ' CZ3' ' HG ' ' A' ' 74' ' ' LEU . 51.2 t90 -56.77 -55.26 36.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.592 0.711 . . . . 0.0 109.73 179.36 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.47 -49.56 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.525 -179.465 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -56.3 -42.04 76.92 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.98 -179.815 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 57' ' ' HIS . 23.7 ttp-105 -62.12 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.024 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.515 ' O ' ' SD ' ' A' ' 60' ' ' MET . 34.1 m-70 -114.89 19.18 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.996 -178.482 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 15.1 ptm180 -53.46 -34.43 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 111.493 179.839 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.43 -32.04 64.49 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.587 -179.077 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 8.6 ptt? -57.84 -29.99 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 p -60.19 -30.0 69.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -178.779 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -75.67 -13.91 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.074 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.1 -59.68 2.26 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.716 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -79.71 -37.74 34.96 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.647 -179.381 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.7 tttm 60.39 -16.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.631 ' H ' ' C ' ' A' ' 64' ' ' TRP . 11.1 p -92.66 129.97 38.43 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.224 179.355 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.783 -178.55 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.34 -38.95 91.49 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 84.2 m-20 -64.33 -44.6 91.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.298 -179.088 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 64' ' ' TRP . 56.4 mt -60.0 -44.97 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.627 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 75.5 mt -55.18 -40.22 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.4 -179.767 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.82 -44.55 93.96 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.724 179.148 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.579 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 3.1 mptp? -65.55 -49.44 68.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.479 ' HG ' ' CZ3' ' A' ' 53' ' ' TRP . 6.7 mp -58.81 -36.19 74.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.783 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.473 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 68.2 m-20 -56.57 -47.86 78.62 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.328 179.004 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -70.35 -41.2 73.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.368 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.579 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 3.7 mp0 -70.11 -44.29 69.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.992 -179.45 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 2.0 t-105 -54.97 -42.4 72.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.351 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.46 ' OD1' HD13 ' A' ' 33' ' ' LEU . 79.3 m-20 -68.82 -37.16 79.01 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.017 0.437 . . . . 0.0 110.23 179.17 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -81.88 -7.27 59.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.321 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' GLN . 20.8 t70 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.393 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.8 mttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.598 0.237 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -77.11 149.08 35.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.909 0.385 . . . . 0.0 110.948 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.8 p -83.1 160.86 21.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.659 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -52.95 -43.16 66.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -178.724 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.74 -42.94 81.03 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.814 -179.733 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.6 -40.3 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.412 0.625 . . . . 0.0 109.578 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.473 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 5.1 t-105 -63.15 -46.49 86.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.66 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 26.2 m-20 -56.31 -38.43 71.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 179.505 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -63.64 -43.72 95.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 21' ' ' PHE . 57.0 tp -62.0 -38.51 88.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.912 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.549 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . 26.5 mttt -59.91 -45.36 92.79 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.622 179.787 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.66 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -60.66 -41.99 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.661 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.46 -43.82 96.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -64.46 -46.89 81.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.931 179.325 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.8 mt -57.77 -46.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.29 178.852 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -55.75 -44.95 78.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.294 179.554 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.99 86.01 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.461 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 5.3 mm -72.58 -35.01 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.433 -179.41 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.27 -25.49 23.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.103 0.478 . . . . 0.0 111.15 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -72.85 -37.34 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.486 179.135 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.496 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 48.4 p30 -84.79 157.54 20.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.541 . . . . 0.0 111.618 -179.413 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.92 -23.76 67.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.679 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -61.01 -11.88 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.377 -178.852 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 1.028 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -52.21 -23.96 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.808 -179.319 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 51.2 t0 -57.45 -38.8 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.401 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' H ' HD12 ' A' ' 33' ' ' LEU . 4.9 mp -60.16 -39.37 86.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.376 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.028 HG12 ' O ' ' A' ' 31' ' ' LYS . 3.8 p -66.45 -33.95 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.987 -179.694 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.086 0.469 . . . . 0.0 109.844 179.896 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.612 ' O ' ' OE1' ' A' ' 46' ' ' GLN . 4.4 m-80 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.612 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 56.96 55.11 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 179.324 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 68.6 mt -42.25 -50.95 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.383 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -59.4 -57.59 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.163 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.99 -40.99 95.77 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.367 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.4 tt -58.69 -43.69 90.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 -178.919 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -60.63 -47.61 85.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.316 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -58.77 -48.15 82.22 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.783 179.784 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -56.94 -57.46 12.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' ARG . 10.3 tp -57.64 -51.8 68.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.14 -178.606 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.28 -43.58 71.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -178.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -64.74 -31.44 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 179.439 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.409 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 84.4 m-70 -107.55 15.53 24.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.324 -179.604 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.673 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -55.4 -34.13 64.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 110.914 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.03 -32.67 66.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.397 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptm -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.33 -179.482 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.673 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.3 p -62.35 -27.43 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.757 -178.179 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -71.88 -12.88 61.48 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.472 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.63 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.2 mmtt -84.88 19.15 2.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.766 0.317 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -166.84 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 111.117 178.983 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 tttm 59.78 -1.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.516 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 64' ' ' TRP . 70.6 p -85.88 -149.02 0.13 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.24 178.549 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -139.79 -61.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.358 -0.537 . . . . 0.0 112.152 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.8 -36.11 78.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.922 -178.033 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 67.4 m-20 -63.02 -49.47 74.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 -179.363 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.764 HG22 HD13 ' A' ' 74' ' ' LEU . 30.0 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.555 -179.322 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 71' ' ' LEU . 92.2 mt -53.83 -41.26 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.807 179.344 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -58.93 -44.74 91.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.182 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.536 ' HA ' ' HZ3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -64.9 -51.41 62.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.747 -179.514 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.764 HD13 HG22 ' A' ' 70' ' ' ILE . 7.6 mp -59.21 -36.44 75.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -56.54 -50.57 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.294 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -64.36 -38.55 91.42 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.919 179.646 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.602 ' O ' ' N ' ' A' ' 81' ' ' ASP . 9.0 tp-100 -70.42 -41.85 72.4 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.391 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -54.62 -39.62 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -68.27 -40.54 81.82 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.402 178.8 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 81' ' ' ASP . 10.5 mtmt -89.39 -1.05 57.92 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 77' ' ' GLN . 18.1 t70 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.408 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 9.1 mtpm? . . . . . 0 C--O 1.232 0.169 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -77.71 140.2 39.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 112.036 -178.61 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 p -86.91 162.64 17.6 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.451 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.16 -41.76 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.477 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 75.9 m-20 -63.01 -44.73 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.276 179.62 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -67.0 -38.58 86.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.406 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.499 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -60.91 -47.51 86.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.69 179.529 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -54.66 -40.36 68.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.522 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.671 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -65.2 -44.55 88.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.732 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 tp -60.03 -41.17 91.64 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.8 mttt -57.44 -46.49 83.52 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.458 179.535 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -58.74 -41.14 85.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.67 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.72 -45.71 88.99 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 109.898 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -64.92 -46.74 80.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.179 -179.876 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 18' ' ' LYS . 80.7 mt -58.8 -46.01 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.606 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -56.76 -45.53 82.01 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.038 179.62 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.97 81.0 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.727 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 31.9 mm -70.71 -40.71 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 121.344 -0.142 . . . . 0.0 111.295 -179.769 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.858 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -82.51 -30.15 30.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 109.945 179.548 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.58 ' OE1' ' OD1' ' A' ' 28' ' ' ASN . 8.2 tm-20 -74.03 -45.48 49.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.632 179.522 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.58 ' OD1' ' OE1' ' A' ' 27' ' ' GLU . 88.6 m-20 -86.88 160.28 18.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.582 0.706 . . . . 0.0 111.808 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 31' ' ' LYS . 81.6 tt0 -59.26 -26.08 64.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.334 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -49.44 -8.71 0.03 OUTLIER 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 109.808 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.861 ' O ' HG12 ' A' ' 34' ' ' VAL . 78.0 tttt -55.99 -39.41 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.313 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.41 -32.55 71.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.149 0.5 . . . . 0.0 110.196 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -67.93 -43.12 79.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.793 -179.517 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 31' ' ' LYS . 7.6 p -62.12 -33.27 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.632 179.745 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.389 178.993 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.613 HD22 ' N ' ' A' ' 45' ' ' ASN . 1.5 m120 . . . . . 0 C--O 1.228 -0.05 0 N-CA-C 111.295 0.109 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 11.7 pt20 51.12 53.52 12.83 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.138 0.494 . . . . 0.0 110.886 -179.334 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.7 mt -46.06 -52.15 12.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.024 -179.668 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -57.25 -53.89 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.56 -178.406 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.15 -40.55 94.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.037 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.1 tt -58.2 -45.1 88.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.866 -178.82 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.8 m170 -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.777 179.82 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -61.17 -49.99 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -57.98 -55.79 30.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.516 0.674 . . . . 0.0 110.966 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.4 tp -54.96 -50.38 69.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.118 -178.509 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.77 -43.89 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.833 -179.261 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.77 -31.9 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.583 ' O ' ' CG ' ' A' ' 60' ' ' MET . 97.8 m-70 -109.43 14.39 23.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.648 -178.689 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.551 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.672 0.272 . . . . 0.0 111.283 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 61.4 t0 -60.03 -31.7 70.2 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.5 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.0 ppp? -56.51 -26.79 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.0 p -62.36 -28.28 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.205 -179.521 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.4 mt-10 -75.16 -13.07 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.517 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.2 mmtp -85.63 24.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.021 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.717 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.56 -34.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.039 177.349 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mttm 54.54 6.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.304 0.573 . . . . 0.0 110.038 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.605 ' O ' HD12 ' A' ' 70' ' ' ILE . 24.5 p -91.42 176.8 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.784 179.056 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -111.18 -63.34 1.42 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.56 -37.56 81.7 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.754 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.457 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 15.8 t0 -63.02 -45.28 93.11 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 66' ' ' SER . 89.8 mt -59.6 -45.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.772 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.71 -40.76 66.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.203 0.525 . . . . 0.0 109.973 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.54 -46.67 88.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 12.8 mmtt -59.09 -52.55 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.655 -179.362 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 70' ' ' ILE . 6.7 mp -57.64 -39.0 76.01 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.866 -179.484 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -56.3 -47.25 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.188 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.57 -39.94 95.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.467 . . . . 0.0 110.523 179.152 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 81' ' ' ASP . 3.0 mm-40 -74.13 -36.32 64.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.366 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.509 ' HZ2' HG23 ' A' ' 34' ' ' VAL . 4.1 t-105 -56.31 -38.64 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.231 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -60.12 -40.43 89.68 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.0 -179.661 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -94.39 -7.08 42.63 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.778 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 77' ' ' GLN . 25.1 t70 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mttm . . . . . 0 C--O 1.231 0.092 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.7 145.15 29.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.247 0.546 . . . . 0.0 111.674 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.4 p -85.64 162.62 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.602 179.373 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.31 -38.8 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.35 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.599 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 93.9 m-20 -64.53 -46.54 82.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.638 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 71.3 mm-40 -65.28 -38.32 89.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.824 178.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.426 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 3.4 t-105 -62.76 -47.87 81.66 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.461 -179.534 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.743 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 86.9 m-20 -55.54 -41.63 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.599 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -64.89 -42.07 95.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.27 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.86 -38.15 78.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 28.6 mttt -60.03 -44.1 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.275 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.743 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 2.8 mp0 -61.36 -43.16 99.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.164 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -60.69 -38.57 85.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -70.47 -50.53 37.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.117 0.484 . . . . 0.0 110.11 179.452 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.2 mt -57.53 -43.19 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.025 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.6 -43.07 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.413 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.06 -30.98 74.98 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.079 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 25' ' ' ILE . 40.6 mm -71.99 -47.95 52.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.845 0.355 . . . . 0.0 110.128 179.4 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.851 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.88 -30.13 62.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.221 179.37 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 5.2 tm-20 -72.67 -38.81 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.586 179.837 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -86.16 150.05 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' LYS . 54.9 tp10 -54.54 -29.64 51.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.265 179.503 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.07 -7.85 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.625 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.9 pttm -53.68 -37.5 63.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.178 -179.492 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.36 -32.93 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.22 0.533 . . . . 0.0 109.816 178.195 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.86 -47.65 84.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' OE1' ' A' ' 46' ' ' GLN . 9.9 p -67.94 -28.17 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.968 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.212 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.584 ' HB3' HG21 ' A' ' 34' ' ' VAL . 25.3 m120 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 111.464 0.172 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.719 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER 60.52 45.35 10.76 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.594 0.559 . . . . 0.0 112.273 179.072 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 83.4 mt -48.81 -48.35 41.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.05 179.526 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.76 -52.68 64.68 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.076 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 49' ' ' LEU . 93.0 mt -65.48 -40.31 92.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.963 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -59.22 -43.04 92.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 -179.012 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 21.4 m170 -58.76 -49.44 77.64 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.287 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -61.3 -47.8 84.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.026 -179.694 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -55.48 -54.17 47.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.898 0.856 . . . . 0.0 110.081 179.42 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 tp -55.39 -48.38 74.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.778 -179.031 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -56.72 -40.94 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.052 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 56' ' ' ARG . 43.6 ttt85 -63.59 -29.89 71.08 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' MET . 93.2 m-70 -107.4 17.63 22.55 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.309 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.632 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 ptm180 -55.93 -35.05 66.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.476 -179.663 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -53.74 -28.26 33.25 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.739 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.6 ptm -54.65 -34.7 62.57 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.504 179.268 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.632 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.8 p -68.2 -31.42 70.94 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.798 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.15 -28.08 65.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -84.06 -82.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.342 179.097 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.727 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.1 OUTLIER -91.86 52.95 2.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.12 179.24 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 61' ' ' CYS . 1.7 pttm -45.97 9.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -179.26 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.724 ' O ' HD12 ' A' ' 70' ' ' ILE . 3.1 p -75.55 165.24 25.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.099 0.476 . . . . 0.0 110.943 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttm -91.62 -68.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.431 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -62.83 -38.63 91.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.907 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 52.9 m-20 -61.57 -45.12 95.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.156 -179.561 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 66' ' ' SER . 61.0 mt -61.02 -42.48 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.423 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 22.0 mt -55.02 -39.48 69.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.954 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -62.09 -46.17 90.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.176 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.48 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 23.9 mmtm -59.64 -52.95 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.618 HD13 HG22 ' A' ' 70' ' ' ILE . 6.4 mp -54.49 -40.88 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.158 -179.273 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -55.14 -44.64 75.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.38 -42.02 93.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.838 0.352 . . . . 0.0 111.433 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 81' ' ' ASP . 35.4 tt0 -73.27 -31.72 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.297 178.746 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -56.82 -41.48 77.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.34 -41.45 89.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.539 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.611 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 48.4 tttp -61.38 -40.52 94.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.304 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.611 ' OXT' ' O ' ' A' ' 80' ' ' LYS . 1.8 t70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.101 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HD3' ' NH1' ' A' ' 58' ' ' ARG . 31.7 mttt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.829 0.347 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -80.64 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.385 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.7 p -84.94 161.78 19.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.704 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 15' ' ' ASN . 90.3 m-20 -54.51 -43.4 71.84 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.729 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 86.7 m-20 -62.7 -48.03 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.13 -38.57 91.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.321 0.581 . . . . 0.0 109.924 179.288 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.2 t-105 -61.43 -45.8 92.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.763 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.715 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 26.8 m120 -57.4 -41.07 79.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.33 -179.839 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.729 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -62.56 -42.65 99.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.843 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.638 HD11 ' CE1' ' A' ' 21' ' ' PHE . 49.3 tp -61.01 -38.41 85.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.028 179.25 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.529 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . 19.1 mttm -60.23 -46.74 88.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.307 179.209 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.715 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -60.89 -43.23 98.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.829 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.92 -42.65 94.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.638 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.9 m-30 -68.15 -48.09 66.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.447 0.642 . . . . 0.0 110.254 179.606 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.586 HG23 ' CB ' ' A' ' 45' ' ' ASN . 87.9 mt -58.42 -50.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.555 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 16.9 m -56.16 -39.34 72.18 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.467 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.43 -31.61 81.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.0 mm -69.94 -35.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.855 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -90.4 -24.98 20.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.017 -179.785 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 23' ' ' SER . 71.6 mm-40 -77.29 -37.08 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.097 0.475 . . . . 0.0 109.827 178.112 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -90.85 165.02 13.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.825 179.731 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.11 -24.72 56.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.386 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.662 ' HA ' HD13 ' A' ' 33' ' ' LEU . 7.0 mp0 -49.67 -16.97 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -179.338 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 34' ' ' VAL . 31.2 pttt -55.77 -38.49 69.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.742 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 71.2 m-20 -63.75 -37.81 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 30' ' ' GLN . 10.2 mp -61.33 -43.68 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -179.118 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 31' ' ' LYS . 14.3 p -75.7 -26.84 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.907 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.586 ' CB ' HG23 ' A' ' 22' ' ' ILE . 28.9 m120 . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 50' ' ' LEU . 54.5 mt-30 65.6 38.25 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.472 -179.487 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 26.1 mt -39.23 -53.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.344 -179.831 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.0 -59.36 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.341 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.16 -39.22 78.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 50' ' ' LEU . 3.0 tt -58.8 -43.42 90.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.6 m-70 -57.58 -47.47 82.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -59.84 -47.36 86.03 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.269 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -58.17 -56.11 26.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.689 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.69 -49.45 72.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.179 -178.427 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.66 -45.25 89.79 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.148 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 56' ' ' ARG . 12.5 ttm180 -65.08 -32.47 74.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.581 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -109.61 16.95 21.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.051 -179.344 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.66 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.8 ptm180 -51.68 -33.35 33.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.553 179.827 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -54.61 -34.33 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.587 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.67 -30.15 65.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.274 -179.123 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -62.28 -28.41 69.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.927 -179.392 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -74.5 -12.7 60.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.518 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.524 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 2.6 mtmt -84.06 22.29 1.21 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.633 0.254 . . . . 0.0 111.218 -178.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.068 178.319 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 75.5 -18.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.81 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.8 p -88.36 141.67 28.35 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.558 179.825 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 59.1 tttm -62.14 -53.4 55.98 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.381 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.97 -38.46 86.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -177.349 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 97.4 m-20 -62.63 -50.08 72.65 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.803 -179.276 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.646 HG22 HD13 ' A' ' 74' ' ' LEU . 28.3 mt -56.72 -46.29 83.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.656 -179.238 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 71' ' ' LEU . 61.5 mt -57.78 -42.53 84.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.394 -178.713 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.557 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 84.7 t60 -58.94 -45.09 91.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.998 0.428 . . . . 0.0 110.56 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 18.5 mmtt -63.14 -51.18 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.455 -179.777 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 70' ' ' ILE . 7.2 mp -58.45 -37.99 76.57 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.841 179.773 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 69.7 m-20 -53.94 -51.93 62.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.452 -179.472 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.9 mp0 -67.97 -35.8 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.789 179.268 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.33 -41.74 76.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.011 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.4 t-105 -57.2 -42.74 81.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.438 178.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 75' ' ' ASN . 4.2 m-20 -61.84 -38.36 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.136 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -83.25 -1.64 53.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.599 179.239 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 65.3 t0 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.887 0.375 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -76.39 153.75 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.6 p -85.73 158.72 19.96 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.39 -40.32 68.07 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.143 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -65.99 -47.27 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -63.94 -39.08 93.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.391 0.615 . . . . 0.0 109.649 179.13 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -63.11 -47.31 83.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.398 179.747 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.758 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 19.8 m-20 -57.8 -38.5 75.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.016 178.663 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -62.22 -44.03 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.025 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.665 HD11 ' CE1' ' A' ' 21' ' ' PHE . 54.9 tp -61.47 -39.33 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.62 179.397 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' O ' HG13 ' A' ' 22' ' ' ILE . 25.3 mttt -59.87 -46.64 88.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.676 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.758 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 1.5 mp0 -60.29 -41.35 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.722 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.03 -45.49 93.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 -179.628 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.665 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.0 m-30 -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.955 -179.908 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.423 HD12 ' OE1' ' A' ' 19' ' ' GLN . 91.9 mt -57.99 -49.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.995 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 m -56.04 -38.66 70.87 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.11 -33.95 81.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.765 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.582 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 17.3 mm -71.23 -46.82 63.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.761 0.315 . . . . 0.0 110.685 179.683 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -69.49 -26.05 64.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 109.388 179.263 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -74.41 -29.29 61.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.325 178.596 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.582 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 52.5 p30 -109.34 154.57 22.34 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 112.188 -179.234 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -63.8 -20.97 66.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.661 179.261 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.533 HE22 ' CG ' ' A' ' 75' ' ' ASN . 97.5 mt-30 -47.94 -23.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -178.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -49.13 -21.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.235 0.54 . . . . 0.0 110.511 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.12 -40.22 73.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.403 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 33' ' ' LEU . 6.6 mp -61.22 -35.67 77.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.689 -179.528 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -66.3 -37.5 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.867 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.953 179.539 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 48.9 m-80 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.53 0.205 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 9.0 pt20 49.56 47.92 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.716 0.769 . . . . 0.0 110.022 -178.844 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' A' ' 51' ' ' HIS . 3.6 mt -42.16 -48.62 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.202 -179.666 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -56.82 -52.25 65.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.601 -177.97 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.661 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.3 mm? -69.99 -38.54 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.355 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -44.87 91.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 -178.699 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.483 ' NE2' ' CD2' ' A' ' 47' ' ' LEU . 12.1 m170 -60.78 -51.18 70.45 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.016 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.34 -45.34 93.79 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.443 -179.776 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -56.55 -57.74 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.784 179.422 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.85 -49.49 73.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 -179.339 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.78 -41.16 73.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -65.34 -32.27 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.853 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.613 ' O ' ' CG ' ' A' ' 60' ' ' MET . 89.4 m-70 -111.71 16.01 20.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.275 -178.923 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.598 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.4 ptm180 -49.62 -34.36 17.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.796 0.331 . . . . 0.0 111.442 179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.72 -30.16 55.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.381 0.61 . . . . 0.0 110.415 -179.44 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.733 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.47 -32.15 66.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.291 179.312 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.0 p -66.91 -31.62 72.33 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 109.903 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 75.6 mm-40 -68.88 -26.5 65.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.059 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -77.72 -47.29 19.45 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.875 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.733 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -139.56 57.39 1.64 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.043 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 61' ' ' CYS . 21.0 pttm -50.73 17.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.113 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.684 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.9 p -77.14 158.15 30.58 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.024 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -82.13 -66.84 0.84 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.8 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.13 -39.08 91.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.897 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.48 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.36 -178.351 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 66' ' ' SER . 78.2 mt -60.55 -40.71 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.967 -179.659 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 71' ' ' LEU . 82.4 mt -55.52 -41.81 73.64 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.529 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -62.16 -44.83 95.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.849 179.524 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.488 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 13.0 mmtt -60.71 -52.69 64.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.677 -179.646 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 78' ' ' TRP . 9.2 mp -56.9 -37.43 71.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.268 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CG ' HE22 ' A' ' 30' ' ' GLN . 87.2 m-20 -57.52 -44.58 85.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.517 179.367 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 92.3 mt-10 -66.36 -39.39 89.11 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.775 178.481 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.09 -35.96 74.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.524 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.4 t-105 -55.71 -43.24 76.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.172 179.266 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.13 -36.99 86.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.898 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 53.5 mttm -63.93 -34.45 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.396 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.603 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 6.9 p30 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.171 -178.666 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttm . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 121.119 0.485 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -77.87 150.5 34.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.403 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 37.0 p -83.02 161.18 21.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -56.64 -42.83 79.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.364 -179.038 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.675 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 74.9 m-20 -64.59 -42.27 95.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.404 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 94.1 mt-10 -67.75 -39.25 84.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.247 178.33 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' THR . 3.9 t-105 -61.95 -46.87 87.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.439 179.83 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.608 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 88.0 m-20 -56.34 -41.54 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.455 179.319 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.675 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -62.6 -44.13 97.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.484 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.66 -38.72 85.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -59.48 -44.07 93.14 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.668 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.608 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -59.1 -44.06 91.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.164 -179.482 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HB3' ' CE ' ' A' ' 67' ' ' LYS . 71.8 m-20 -61.48 -41.82 97.85 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.565 179.547 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CE2' HD21 ' A' ' 74' ' ' LEU . 3.9 m-30 -65.22 -47.67 76.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.826 179.195 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.504 HD12 ' NE2' ' A' ' 19' ' ' GLN . 85.9 mt -57.88 -48.99 82.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.705 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 68.4 m -55.67 -41.52 73.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.33 90.5 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.695 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.0 mm -70.8 -34.61 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.276 -179.643 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -80.34 -32.87 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.324 179.812 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 23' ' ' SER . 90.2 mt-10 -74.68 -39.27 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.505 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 50.1 t-20 -83.73 153.02 24.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.63 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 31' ' ' LYS . 84.3 tt0 -58.98 -25.56 63.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 91.0 mt-30 -50.26 -6.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.267 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.873 ' O ' HG12 ' A' ' 34' ' ' VAL . 25.7 pttm -54.87 -35.49 64.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -63.58 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.035 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CD1' ' OD1' ' A' ' 79' ' ' ASN . 88.2 mt -59.95 -46.0 90.8 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.873 HG12 ' O ' ' A' ' 31' ' ' LYS . 6.7 p -62.14 -31.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.269 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.422 179.509 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.68 HD22 HD23 ' A' ' 47' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.541 0.21 . . . . 0.0 111.185 . . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.547 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 14.5 pt20 46.78 57.39 5.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.52 0.676 . . . . 0.0 109.802 -178.45 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.68 HD23 HD22 ' A' ' 45' ' ' ASN . 53.7 mt -42.73 -52.48 4.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.2 -179.116 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 11.8 p-10 -59.85 -52.77 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.855 -178.222 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 83.7 mt -67.01 -40.57 87.34 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.242 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 45' ' ' ASN . 0.3 OUTLIER -59.1 -45.01 91.96 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.357 -179.248 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 1.2 m-70 -59.81 -46.25 89.8 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.613 0.245 . . . . 0.0 110.73 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -58.7 -47.34 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.708 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.75 -55.02 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.519 179.567 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' A' ' 21' ' ' PHE . 15.2 tp -56.75 -53.39 58.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.354 -179.58 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -54.63 -45.3 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.161 -179.191 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' CZ ' ' CE1' ' A' ' 57' ' ' HIS . 6.0 ttt180 -60.3 -32.16 70.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.405 -179.618 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' A' ' 60' ' ' MET . 36.7 m-70 -112.3 23.88 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.188 -179.427 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -56.18 -35.44 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.277 0.561 . . . . 0.0 110.638 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' MET . 11.3 p30 -58.94 -27.55 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.649 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.3 ptt? -60.56 -30.22 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.082 -179.412 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.459 ' N ' ' HG2' ' A' ' 60' ' ' MET . 13.3 p -61.59 -28.03 69.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.22 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.44 -13.01 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -178.871 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 26.2 mttm -87.34 20.69 2.71 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.995 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.21 -50.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 110.59 177.948 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttm 67.82 -4.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.593 -178.847 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 64' ' ' TRP . 12.7 p -94.66 134.92 36.72 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.638 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -62.45 -55.65 25.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.277 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.44 -42.48 87.45 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.218 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.6 m-20 -60.95 -47.79 84.8 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.169 -178.93 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 64' ' ' TRP . 84.7 mt -60.78 -43.1 94.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.614 -179.09 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 71' ' ' LEU . 36.0 mt -57.97 -43.17 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.355 -178.799 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -61.01 -41.16 96.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -67.09 -49.94 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.689 179.846 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' A' ' 21' ' ' PHE . 4.6 mp -57.25 -41.81 80.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.539 179.15 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.417 ' HB3' HE22 ' A' ' 30' ' ' GLN . 18.6 m-20 -56.23 -48.72 75.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.644 179.2 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.886 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' ASP . 95.8 mt-30 -70.49 -43.15 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.349 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.3 t-105 -54.92 -45.5 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.427 . . . . 0.0 109.981 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.498 ' OD1' ' CD1' ' A' ' 33' ' ' LEU . 83.0 m-20 -64.39 -38.05 89.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.499 179.301 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -86.06 -7.17 58.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.244 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 77' ' ' GLN . 26.5 m-20 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.64 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.31 150.03 27.27 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.86 2.373 . . . . 0.0 111.561 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.817 ' H ' HD12 ' A' ' 3' ' ' LEU . 5.3 mp -63.73 134.15 54.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.695 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.83 168.09 46.92 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 6.77 12.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.655 0.264 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 74.6 mtm -52.65 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.284 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 53.47 43.15 31.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.319 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -72.77 164.93 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -79.4 144.5 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.9 p -83.79 161.23 21.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.64 -38.71 67.19 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.813 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.51 -47.77 77.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.943 0.402 . . . . 0.0 110.283 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.35 -37.67 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.529 0.68 . . . . 0.0 109.578 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.486 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.9 t-105 -62.95 -49.75 73.5 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -54.6 -39.11 67.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.064 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.54 -43.23 97.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 21' ' ' PHE . 26.1 tp -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.104 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.601 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 70.6 mttt -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.066 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.82 -43.54 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.625 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -59.98 -43.43 95.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.618 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 17' ' ' LEU . 3.6 m-30 -64.68 -46.92 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.407 0.622 . . . . 0.0 109.768 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.588 HG23 ' CB ' ' A' ' 45' ' ' ASN . 71.7 mt -58.42 -48.27 85.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.396 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.5 t -57.56 -42.88 83.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.48 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.66 90.42 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.78 -37.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.045 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.895 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.7 -25.18 38.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.893 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -71.16 -37.31 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.259 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -89.83 151.86 21.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -57.42 -21.32 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.196 0.522 . . . . 0.0 109.703 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.418 HE22 ' HB3' ' A' ' 75' ' ' ASN . 90.5 mt-30 -57.95 -14.04 5.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.198 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.887 ' O ' HG12 ' A' ' 34' ' ' VAL . 13.1 ptpt -52.25 -28.08 17.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.08 -34.8 68.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.62 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.3 mt -62.61 -44.72 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.987 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 31' ' ' LYS . 10.6 p -64.11 -35.86 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.024 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.92 99.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.31 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -74.71 -36.19 62.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.675 HD22 ' CD ' ' A' ' 46' ' ' GLN . 8.3 tt -56.11 -38.5 70.83 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.228 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 34' ' ' VAL . 26.2 p -79.71 1.35 26.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.24 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 38' ' ' THR . 2.7 m120 90.81 -36.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.371 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.493 ' O ' ' OG ' ' A' ' 40' ' ' SER . 5.5 t 170.47 51.46 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.596 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.4 OUTLIER -113.91 148.43 39.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.001 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' O ' ' O ' ' A' ' 41' ' ' ASP . 31.3 Cg_exo -52.69 -137.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.156 1.904 . . . . 0.0 112.399 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 43' ' ' ILE . 32.8 mt -81.38 28.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.068 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.636 ' C ' ' H ' ' A' ' 46' ' ' GLN . 10.9 tpt -40.48 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.637 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.707 HD21 HD21 ' A' ' 47' ' ' LEU . 6.8 p30 54.67 -0.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.286 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.675 ' CD ' HD22 ' A' ' 37' ' ' LEU . 21.5 mt-30 63.7 46.45 4.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.063 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.726 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 74.9 mt -43.6 -49.58 7.55 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.208 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 63.2 t0 -57.67 -62.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.515 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.19 -39.01 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.987 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.0 tt -59.85 -46.29 89.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.726 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.5 m-70 -58.1 -50.32 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.072 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 48' ' ' ASP . 41.0 mmtt -60.87 -45.97 92.45 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.231 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.97 -51.89 67.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.399 0.619 . . . . 0.0 110.3 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.0 tp -55.16 -50.57 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.71 -42.76 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.727 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' NE ' ' NE2' ' A' ' 57' ' ' HIS . 42.0 ttp180 -63.32 -33.11 74.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.59 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.477 ' NE2' ' NE ' ' A' ' 56' ' ' ARG . 90.9 m-70 -112.58 17.62 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.044 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.0 ptm180 -52.63 -34.11 49.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.867 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 60' ' ' MET . 24.7 p-10 -59.19 -27.29 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.613 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.713 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.76 -29.81 65.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 p -61.14 -28.29 69.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.479 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -73.24 -12.78 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.416 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 22.4 mttt -84.8 19.37 2.08 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.713 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.85 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.116 178.376 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.24 -1.23 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.028 0.442 . . . . 0.0 110.114 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.6 p -83.86 -172.97 4.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' O ' HD23 ' A' ' 71' ' ' LEU . 86.8 tttt -121.31 -64.76 1.2 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.81 -39.33 93.94 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.623 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.442 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 65.2 m-20 -62.53 -44.29 96.72 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.685 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 74' ' ' LEU . 57.1 mt -56.4 -44.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.392 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -56.48 -38.58 71.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.798 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -60.3 -45.8 92.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.027 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 3.4 mptt -63.25 -47.81 80.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.628 HD13 HG22 ' A' ' 70' ' ' ILE . 6.7 mp -58.64 -38.06 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.606 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.418 ' HB3' HE22 ' A' ' 30' ' ' GLN . 53.1 m-20 -58.41 -47.11 84.99 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.76 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.61 -37.14 85.77 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -73.11 -38.91 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.22 -42.52 86.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 75' ' ' ASN . 21.9 m120 -60.29 -41.29 93.05 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -88.04 -17.83 30.29 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.474 -0.491 . . . . 0.0 111.739 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.778 -179.604 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -61.76 141.45 90.45 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.994 2.462 . . . . 0.0 113.061 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' A' ' 4' ' ' GLY . 6.2 mp -66.27 -36.21 82.39 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.859 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 25.3 -139.66 0.01 OUTLIER Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.689 -0.564 . . . . 0.0 111.689 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -85.88 9.25 17.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.602 -0.299 . . . . 0.0 111.658 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.652 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -121.25 -162.73 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.525 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.652 ' CB ' ' O ' ' A' ' 6' ' ' MET . 5.9 t-20 96.54 130.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.719 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -52.7 162.99 0.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.78 148.39 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.066 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 58.4 p -83.49 158.38 22.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.68 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -52.5 -41.31 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.473 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.27 -46.55 80.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 110.647 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 81.2 mm-40 -64.95 -36.23 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.454 ' CD1' ' NZ ' ' A' ' 18' ' ' LYS . 2.5 t-105 -63.44 -49.43 73.75 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.038 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.465 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 23.7 m120 -53.8 -40.16 66.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.731 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -65.5 -42.25 92.31 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD11 ' CE1' ' A' ' 21' ' ' PHE . 35.9 tp -61.6 -37.42 83.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.877 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 54.5 mttp -60.56 -45.33 94.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.894 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.497 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -63.13 -43.88 97.16 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.258 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.694 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 96.9 m-20 -61.87 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.965 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -66.53 -46.91 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG23 ' ND2' ' A' ' 45' ' ' ASN . 83.3 mt -57.48 -44.48 84.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.854 178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 t -56.58 -42.35 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.347 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.79 91.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 21' ' ' PHE . 11.8 mm -71.29 -36.28 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.882 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.95 -27.68 30.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.2 0.524 . . . . 0.0 109.809 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 50.0 tp10 -70.01 -33.19 71.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.156 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -99.3 146.48 26.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.353 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 31' ' ' LYS . 83.4 tt0 -55.81 -22.39 24.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -49.04 -12.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.629 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 29' ' ' GLU . 6.2 ttpm? -49.06 -29.08 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.436 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.722 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 17.0 p30 -58.16 -29.93 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.722 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 71.6 mt -63.46 -37.13 86.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.54 -42.02 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.484 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -60.16 -46.31 90.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -67.13 -35.08 78.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.031 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD23 ' HG2' ' A' ' 46' ' ' GLN . 44.8 tp -60.75 -39.45 88.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.898 0.38 . . . . 0.0 110.672 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 35' ' ' ALA . 0.3 OUTLIER -134.19 -145.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.516 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -78.48 -162.6 0.37 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.264 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 41' ' ' ASP . 65.5 m -76.53 3.19 11.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.442 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 40' ' ' SER . 14.3 m-20 -29.97 135.13 0.19 Allowed Pre-proline 0 N--CA 1.456 -0.172 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.2 -99.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.327 2.018 . . . . 0.0 113.023 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.521 ' N ' HD13 ' A' ' 43' ' ' ILE . 5.3 mm -86.33 -10.74 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.979 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -42.51 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.645 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.694 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 43.0 m-20 53.16 36.81 23.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.207 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.694 ' NE2' ' O ' ' A' ' 45' ' ' ASN . 0.8 OUTLIER 40.73 69.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 109.484 -178.488 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 47' ' ' LEU . 75.1 mt -53.11 -45.18 68.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.717 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -58.08 -50.49 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.588 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.1 mp -69.79 -39.65 76.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.143 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.0 tt -58.91 -45.05 91.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.119 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.571 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -58.93 -46.73 87.25 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -59.08 -54.4 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.616 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.74 -50.13 71.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.208 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.0 -42.79 80.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.742 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 56' ' ' ARG . 36.6 ttp-105 -63.14 -31.94 73.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' O ' ' CG ' ' A' ' 60' ' ' MET . 69.0 m-70 -109.79 17.34 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.4 ptm180 -53.42 -36.15 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 110.134 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -58.71 -33.13 69.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.764 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.2 ppp? -58.88 -31.5 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.641 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.509 ' N ' ' HG3' ' A' ' 60' ' ' MET . 7.9 p -59.23 -26.25 64.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -74.9 -13.17 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.806 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.577 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 33.2 mtpt -87.83 25.16 1.58 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.764 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.67 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.861 178.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 mttm 61.43 -6.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.633 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.611 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 96.3 p -83.13 172.87 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.694 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 9.8 tptt -99.99 -56.81 2.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 111.635 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.59 -45.49 86.73 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 18.9 m-20 -59.05 -43.79 91.72 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.101 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CD1' ' O ' ' A' ' 66' ' ' SER . 30.1 mt -59.58 -42.22 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.092 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.71 -38.96 76.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -63.06 -40.77 98.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptt -61.43 -48.05 82.92 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.836 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 70' ' ' ILE . 7.8 mp -55.27 -41.98 72.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -57.6 -44.74 85.65 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.472 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -69.54 -41.15 76.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.408 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.32 -40.96 86.01 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.569 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 1.3 t90 -57.83 -40.85 81.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -61.29 -41.2 96.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.489 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 47.7 mmtt -85.49 -5.36 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 79.5 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.854 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.428 ' HB2' ' SD ' ' A' ' 6' ' ' MET . 31.6 Cg_exo -56.73 7.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.099 2.533 . . . . 0.0 112.918 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' A' ' 1' ' ' GLY . 2.1 tp 66.34 -164.09 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 111.195 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.62 -152.69 35.81 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.78 3.31 41.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.315 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.593 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 35.0 mtt -61.29 113.44 2.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.773 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.593 ' OD1' ' O ' ' A' ' 6' ' ' MET . 87.3 m-20 -148.85 43.36 0.98 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -65.14 170.61 4.37 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.583 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -78.59 139.79 38.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.287 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.0 p -83.38 162.47 21.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.465 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -55.13 -42.6 73.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.548 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.9 -45.02 95.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.015 0.436 . . . . 0.0 110.342 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.35 -39.3 85.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.852 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -62.72 -47.99 81.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.572 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 74.6 m-20 -54.69 -39.85 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.618 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -65.03 -42.31 94.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD11 ' CE1' ' A' ' 21' ' ' PHE . 43.3 tp -59.0 -38.89 80.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.291 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -60.45 -47.81 84.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.572 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 2.9 mp0 -59.9 -43.62 94.74 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.816 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -59.44 -43.73 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.3 m-30 -68.32 -46.71 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.953 0.406 . . . . 0.0 110.177 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.58 -48.8 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.817 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.2 m -55.93 -41.53 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.45 -31.1 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 21' ' ' PHE . 40.5 mm -70.71 -44.3 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.553 0.216 . . . . 0.0 111.284 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.33 -24.25 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 110.708 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -79.48 -43.04 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.464 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.523 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 25.8 p30 -84.97 162.38 19.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.063 0.459 . . . . 0.0 111.412 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 31' ' ' LYS . 37.6 tp10 -60.49 -28.47 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.534 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.678 HE22 ' HA ' ' A' ' 75' ' ' ASN . 26.4 mt-30 -49.03 -6.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.411 . . . . 0.0 110.718 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' H ' ' C ' ' A' ' 29' ' ' GLU . 53.2 tttm -58.28 -36.69 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.699 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 43.8 p-10 -61.8 -33.99 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 71.2 mt -67.96 -46.51 71.22 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.759 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.3 p -68.36 -30.31 47.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.691 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' O ' ' CA ' ' A' ' 39' ' ' ASN . . . -62.74 -44.94 94.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.88 -33.74 75.31 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.337 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.011 HD22 ' OE1' ' A' ' 46' ' ' GLN . 6.8 tt -63.88 -45.74 88.03 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.617 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 t -128.7 22.02 5.92 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.954 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.657 ' CA ' ' O ' ' A' ' 35' ' ' ALA . 65.5 t30 72.61 178.62 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.5 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.591 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 69.9 p -53.57 147.0 11.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.654 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.591 ' OD1' ' O ' ' A' ' 40' ' ' SER . 35.2 m-20 -174.76 135.73 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.122 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -68.62 -85.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.042 1.828 . . . . 0.0 111.232 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.61 HD12 ' N ' ' A' ' 44' ' ' MET . 1.2 pp -107.11 -16.72 8.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.774 0.321 . . . . 0.0 110.542 179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.61 ' N ' HD12 ' A' ' 43' ' ' ILE . 9.2 tpt -50.39 -42.11 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.111 0.482 . . . . 0.0 109.813 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 81.2 m-20 21.4 51.6 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.03 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 1.011 ' OE1' HD22 ' A' ' 37' ' ' LEU . 16.6 pt20 47.8 64.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.26 0.553 . . . . 0.0 111.014 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.562 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 46.8 mt -55.43 -44.28 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.78 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.47 -52.27 65.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' H ' HD12 ' A' ' 49' ' ' LEU . 6.2 mp -66.75 -40.07 88.15 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.301 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.1 tt -59.03 -45.73 89.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.007 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 24.4 m170 -58.16 -47.32 83.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.296 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -60.62 -48.97 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -57.25 -49.01 77.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.797 0.808 . . . . 0.0 109.077 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.85 -52.86 63.44 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.275 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.13 -41.54 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.64 -31.59 69.66 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.616 0.246 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.476 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.3 m-70 -114.14 23.31 13.02 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.651 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.656 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.3 ptm180 -54.14 -34.34 60.13 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.71 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.4 p30 -61.25 -29.03 69.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.031 0.443 . . . . 0.0 110.708 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.712 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.4 ptt? -56.79 -29.74 62.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 31.4 p -58.07 -28.03 64.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -76.05 -12.55 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.563 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtpp -86.16 19.85 2.53 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.712 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.44 -40.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.147 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mttp 60.77 32.19 20.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.0 p -150.59 136.32 18.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.139 0.495 . . . . 0.0 110.473 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.602 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 42.4 tttp -63.21 -52.05 63.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -60.98 -38.8 87.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -63.08 -46.11 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.777 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 64' ' ' TRP . 96.9 mt -57.9 -48.65 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.494 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.602 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 56.4 mt -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.774 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -59.09 -47.7 84.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 10.2 mmtm -63.25 -49.91 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.353 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.1 mp -58.84 -39.35 81.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.678 ' HA ' HE22 ' A' ' 30' ' ' GLN . 56.6 m-20 -52.64 -48.09 66.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.59 -40.62 88.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.408 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 81' ' ' ASP . 71.4 mt-30 -70.87 -36.18 72.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.644 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t-105 -56.43 -45.54 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.547 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -69.2 -42.3 75.95 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.64 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -82.78 2.84 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.154 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 77' ' ' GLN . 76.0 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.835 -1.078 . . . . 0.0 110.466 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.07 143.65 49.8 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 123.478 2.786 . . . . 0.0 112.777 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.4 mt -94.73 128.0 41.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.049 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.26 162.78 36.98 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.651 ' C ' ' H ' ' A' ' 7' ' ' ASN . 53.4 p -80.64 3.09 23.14 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 77.9 mtm -47.63 -3.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.996 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.651 ' H ' ' C ' ' A' ' 5' ' ' SER . 51.3 p-10 -66.36 -175.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.596 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -86.6 170.06 12.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.434 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -72.39 139.89 48.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' TRP . 49.6 p -85.61 164.46 17.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.908 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 64.3 m-20 -54.86 -39.85 69.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 83.7 m-20 -69.73 -42.69 73.65 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 97.9 mt-10 -66.33 -41.1 90.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 109.473 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.706 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 3.1 t-105 -64.64 -49.29 71.61 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.35 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.486 ' CG ' ' O ' ' A' ' 11' ' ' ASP . 18.5 m120 -54.43 -40.98 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.035 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 13' ' ' GLU . 14.0 mt-30 -66.34 -43.97 84.59 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.706 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 56.1 tp -57.67 -39.16 76.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.126 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 21.7 mttt -58.63 -45.95 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.877 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -60.58 -43.68 97.08 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.608 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.63 -45.25 94.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.471 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.2 m-30 -63.83 -46.81 83.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.664 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.454 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 58.3 mt -57.81 -49.49 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.576 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.707 ' HA ' HD23 ' A' ' 26' ' ' LEU . 21.4 m -55.36 -42.88 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.868 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -55.53 -36.47 64.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mm -76.27 -31.28 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -75.87 -33.08 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 110.01 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 87.1 mt-10 -78.87 -34.74 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.689 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 62.0 m-20 -78.65 164.71 24.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.273 0.559 . . . . 0.0 112.032 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -66.72 -26.62 67.09 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.737 ' NE2' ' OD1' ' A' ' 75' ' ' ASN . 29.9 mt-30 -50.48 -14.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.198 -1.365 . . . . 0.0 111.18 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.9 ttpm? -54.98 -40.07 69.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.095 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.44 -33.87 76.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 33' ' ' LEU . 16.4 tp -66.1 -43.92 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.488 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG23 ' OE1' ' A' ' 46' ' ' GLN . 7.7 p -69.4 -33.44 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.115 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.68 82.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -67.54 -36.62 81.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.903 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD22 ' CD ' ' A' ' 46' ' ' GLN . 7.4 tt -62.49 -35.96 80.99 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.758 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.609 ' O ' ' C ' ' A' ' 39' ' ' ASN . 10.0 m -108.98 122.27 46.89 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.318 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.609 ' C ' ' O ' ' A' ' 38' ' ' THR . 16.1 t-20 18.52 -108.95 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.225 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t -139.25 34.4 2.09 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.34 146.27 93.22 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.454 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 57.4 Cg_endo -76.71 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 123.112 2.542 . . . . 0.0 111.512 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 45' ' ' ASN . 78.6 mt -94.74 -77.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.797 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.566 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 19.2 ttt 36.66 -77.56 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.545 0.212 . . . . 0.0 111.176 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.758 ' N ' ' O ' ' A' ' 43' ' ' ILE . 6.1 m120 92.68 22.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.686 ' CD ' HD22 ' A' ' 37' ' ' LEU . 34.9 mt-30 65.1 45.33 3.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.492 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.702 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 27.2 mt -43.52 -56.94 3.37 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.364 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.11 -56.26 23.77 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 49' ' ' LEU . 77.9 mt -65.53 -41.97 92.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.34 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.6 tt -58.94 -44.69 91.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.024 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 14.1 m170 -58.07 -46.07 86.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.859 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -60.4 -49.82 76.04 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -54.64 -53.32 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.395 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.7 tp -57.83 -51.54 69.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.032 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.47 -47.92 75.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.607 0.241 . . . . 0.0 111.56 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 110.598 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.608 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -106.88 10.58 30.56 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.458 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.653 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.3 ptm180 -49.65 -35.61 21.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.131 0.491 . . . . 0.0 111.064 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.58 -34.32 64.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.486 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.698 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.94 -29.72 63.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.122 -179.098 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.8 p -59.27 -29.25 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.287 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 85.5 mt-10 -76.63 -10.88 59.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 61.2 mttp -86.29 21.61 2.02 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.698 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.37 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.449 178.234 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 61.61 46.79 6.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -149.71 118.41 6.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.187 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -50.58 -62.45 1.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.23 -40.53 90.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 15.0 t0 -62.28 -45.18 94.43 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.537 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 64' ' ' TRP . 47.8 mt -60.17 -42.62 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.703 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt -58.85 -42.52 89.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.75 -43.12 94.4 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 12.4 mmtt -59.5 -51.52 69.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.807 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 3.9 mp -57.5 -39.59 76.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.427 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.737 ' OD1' ' NE2' ' A' ' 30' ' ' GLN . 87.0 m-20 -55.58 -43.92 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.62 -42.46 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.157 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.36 -41.13 73.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.184 0.516 . . . . 0.0 110.444 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.7 t-105 -54.56 -45.42 73.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.951 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -77.55 -34.13 53.91 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.449 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -58.16 -35.64 71.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.981 0.42 . . . . 0.0 109.91 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t0 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.591 178.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.474 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 46.7 Cg_endo -92.77 -21.85 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.539 2.826 . . . . 0.0 111.646 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 4' ' ' GLY . 76.8 mt -86.31 -44.05 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.944 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . 32.48 -157.84 0.01 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -73.12 5.58 3.34 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.766 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 7' ' ' ASN . 1.6 ptt? -104.23 8.13 36.11 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.063 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.575 ' C ' ' O ' ' A' ' 6' ' ' MET . 26.1 t30 -24.29 128.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.84 0.353 . . . . 0.0 110.363 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -77.73 152.7 33.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.03 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE1' ' SG ' ' A' ' 61' ' ' CYS . 67.6 m-85 -86.32 145.74 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 p -87.19 159.32 18.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.68 -40.29 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.427 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.62 -45.78 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.289 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -65.55 -38.38 89.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.477 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 2.8 t-105 -63.34 -48.26 78.74 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.729 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 98.3 m-20 -55.16 -39.03 69.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.214 0.53 . . . . 0.0 109.746 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -62.8 -43.37 98.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 21' ' ' PHE . 21.8 tp -64.81 -37.41 87.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.382 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . 42.2 mttt -59.08 -45.48 90.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.703 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.688 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -64.37 -40.56 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -60.36 -46.64 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.326 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.3 m-30 -61.58 -50.35 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.582 HG23 ' ND2' ' A' ' 45' ' ' ASN . 92.8 mt -57.3 -50.59 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.953 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 8.5 t -54.42 -39.44 67.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.557 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.28 80.84 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 21' ' ' PHE . 18.2 mm -72.91 -43.11 60.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.883 0.373 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.891 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -77.07 -30.2 55.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.887 178.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' SER . 40.3 tp10 -75.7 -29.26 58.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.772 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 30' ' ' GLN . 77.2 m-20 -101.45 153.32 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.138 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.528 ' NE2' ' OD1' ' A' ' 75' ' ' ASN . 34.5 mt-30 -47.42 -24.25 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.822 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 3.3 pttm -49.58 -36.11 22.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 109.97 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.61 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 92.9 m-20 -59.96 -41.29 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.101 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 33' ' ' LEU . 8.7 mp -61.68 -38.81 89.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.871 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -43.0 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.656 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -59.53 -38.05 80.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -63.14 -48.25 79.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.887 0.375 . . . . 0.0 110.72 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 37' ' ' LEU . 8.8 tt -69.27 -44.75 71.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.922 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.509 ' O ' ' O ' ' A' ' 35' ' ' ALA . 27.7 p -84.7 154.79 22.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.894 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -97.86 -85.72 0.36 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 76.9 p -92.04 5.65 49.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.444 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -117.26 89.14 30.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.547 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -80.33 -68.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.636 2.224 . . . . 0.0 112.243 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.729 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 78.5 mt -62.64 -23.94 34.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.3 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.563 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 10.7 ttt -57.66 -23.89 53.76 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.002 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.729 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 2.8 p30 47.38 35.64 4.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.755 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.609 HE21 ' HZ2' ' A' ' 78' ' ' TRP . 23.0 pt20 48.69 54.95 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.263 0.554 . . . . 0.0 110.118 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.482 ' H ' ' HG2' ' A' ' 44' ' ' MET . 6.4 mt -47.59 -48.1 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.601 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 74.7 m-20 -58.42 -52.08 67.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.538 -178.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.725 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -66.7 -41.18 88.43 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.139 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -59.14 -44.19 92.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.559 -178.645 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.453 ' NE2' ' CD2' ' A' ' 47' ' ' LEU . 23.7 m170 -59.55 -46.91 87.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.699 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 59.4 mttp -60.76 -48.83 80.03 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.288 0.566 . . . . 0.0 109.637 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.53 -54.3 45.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.395 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.2 tp -55.62 -49.16 73.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.175 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -55.5 -43.16 75.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -63.0 -31.57 72.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.524 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.643 ' O ' ' SD ' ' A' ' 60' ' ' MET . 86.7 m-70 -112.91 20.03 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -55.49 -34.44 64.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 111.761 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.536 ' O ' ' OE1' ' A' ' 62' ' ' GLU . 77.0 m-20 -58.36 -28.25 64.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.828 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.73 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.9 ptm -55.59 -35.18 65.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.947 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.633 ' SG ' ' CD ' ' A' ' 62' ' ' GLU . 30.4 p -61.99 -29.84 70.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.246 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.633 ' CD ' ' SG ' ' A' ' 61' ' ' CYS . 58.9 mp0 -76.39 -13.72 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.606 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.94 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.287 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.73 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -84.6 -33.1 23.43 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.467 179.555 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? 58.52 -7.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.756 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.688 ' H ' ' C ' ' A' ' 64' ' ' TRP . 3.1 p -85.42 157.07 20.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.209 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 17.1 tttp -93.12 -63.16 1.25 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.164 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.643 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 41.7 mp0 -60.56 -37.36 81.0 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.063 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 83.3 m-20 -63.28 -44.7 94.35 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.921 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.551 HG22 HD13 ' A' ' 74' ' ' LEU . 86.0 mt -60.53 -39.9 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 90.6 mt -56.95 -41.74 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.4 -43.19 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.345 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.67 -50.38 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 70' ' ' ILE . 7.5 mp -56.06 -44.06 78.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.112 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.528 ' OD1' ' NE2' ' A' ' 30' ' ' GLN . 24.1 m-20 -55.46 -44.83 76.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.473 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.22 -41.39 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.6 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.69 -41.86 74.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.079 0.466 . . . . 0.0 110.321 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.609 ' HZ2' HE21 ' A' ' 46' ' ' GLN . 1.7 t-105 -59.27 -39.25 82.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.93 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.534 ' OD1' HD23 ' A' ' 33' ' ' LEU . 40.0 m-20 -72.94 -41.99 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -63.01 -41.93 99.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.136 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.498 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 13.1 t0 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.169 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -47.86 141.38 16.62 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.15 1.9 . . . . 0.0 112.014 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.3 tp 46.66 21.27 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.654 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.8 149.56 46.58 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.535 ' C ' ' H ' ' A' ' 7' ' ' ASN . 47.5 m -70.39 -8.43 50.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.324 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -60.12 -3.02 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 5' ' ' SER . 23.8 t-20 -100.9 124.84 47.19 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.352 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -105.93 -173.23 2.25 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.787 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -77.08 145.09 38.08 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.075 0.464 . . . . 0.0 111.673 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -83.69 159.7 21.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.305 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.519 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 88.3 m-20 -55.92 -41.45 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.385 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.678 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 65.3 m-20 -65.65 -45.04 84.47 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.824 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -66.1 -42.95 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.34 0.591 . . . . 0.0 109.79 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.476 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.3 t-105 -60.54 -45.73 92.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.01 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 90.5 m-20 -54.0 -40.71 67.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.655 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.678 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -63.86 -42.65 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.691 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.8 tp -62.34 -35.4 78.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.827 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 14' ' ' TRP . 68.0 mttt -58.27 -44.03 88.21 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.804 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.83 -41.75 98.17 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.724 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.94 -40.4 84.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.68 ' CE2' HD21 ' A' ' 74' ' ' LEU . 4.4 m-30 -65.84 -45.33 82.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD11 HD21 ' A' ' 47' ' ' LEU . 97.9 mt -59.55 -45.77 93.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.731 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -57.64 -45.62 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.675 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.92 -30.31 74.94 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.539 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 5.6 mm -70.63 -38.27 72.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.797 0.332 . . . . 0.0 110.616 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.849 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -73.26 -35.76 66.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -89.91 157.73 17.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -57.11 -25.25 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -50.45 -12.57 0.1 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.512 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 42' ' ' PRO . 40.7 tttp -56.49 -35.64 68.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.269 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.714 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 31.6 p30 -60.77 -36.07 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.909 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.714 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 40.6 tp -66.85 -49.0 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.664 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -65.01 -31.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.372 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.68 -54.28 48.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -57.31 -38.11 73.53 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.548 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.936 HD13 ' OE1' ' A' ' 46' ' ' GLN . 9.3 tt -56.24 -40.17 73.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.045 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.546 HG22 ' N ' ' A' ' 39' ' ' ASN . 11.4 m -121.06 -82.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.68 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.613 ' C ' ' H ' ' A' ' 41' ' ' ASP . 50.3 t30 -165.23 -177.75 4.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -67.6 27.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.37 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.613 ' H ' ' C ' ' A' ' 39' ' ' ASN . 76.8 m-20 -69.84 113.72 19.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.992 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.564 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 43.1 Cg_exo -49.32 -74.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.682 2.255 . . . . 0.0 112.578 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 45' ' ' ASN . 20.5 mm -89.87 -75.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.758 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.751 ' HG2' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -43.6 81.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.371 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.699 ' N ' ' O ' ' A' ' 43' ' ' ILE . 13.6 m120 -112.21 92.84 4.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.105 0.478 . . . . 0.0 110.51 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.936 ' OE1' HD13 ' A' ' 37' ' ' LEU . 12.7 pt20 48.54 59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.391 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD12 ' HG2' ' A' ' 44' ' ' MET . 8.8 mt -60.17 -45.65 92.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.829 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.74 -51.34 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.698 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -66.68 -41.21 88.46 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.448 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.3 tt -58.28 -44.4 88.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.98 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.3 m170 -59.81 -46.55 88.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.281 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.19 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.252 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -58.19 -49.17 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 21' ' ' PHE . 19.9 tp -58.88 -54.74 43.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.233 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 28.3 m-20 -56.72 -41.17 76.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.225 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.502 HH11 ' HG3' ' A' ' 56' ' ' ARG . 39.2 ttm-85 -60.54 -32.89 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.36 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.61 ' O ' ' CG ' ' A' ' 60' ' ' MET . 84.5 m-70 -114.54 24.69 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -53.15 -33.7 53.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.94 -25.66 65.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.632 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.745 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.06 -33.36 67.16 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.419 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.608 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.9 p -66.73 -30.33 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.208 0.528 . . . . 0.0 110.28 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 74.9 mm-40 -74.55 -29.05 61.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -75.48 -44.97 41.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -127.36 49.22 2.12 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.8 179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' TRP . 37.1 tttt -35.44 82.09 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.79 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.677 ' N ' ' O ' ' A' ' 64' ' ' TRP . 26.0 p -153.04 166.5 32.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -100.29 -69.64 0.76 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -61.88 -37.66 85.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 111.033 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.463 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -61.39 -51.36 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.652 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 66' ' ' SER . 34.7 mt -60.23 -43.82 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.639 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.512 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 79.6 mt -55.37 -40.59 71.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.699 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.473 ' HD1' ' C ' ' A' ' 72' ' ' HIS . 1.2 t-80 -61.78 -45.39 94.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtm -60.73 -51.51 69.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.43 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.68 HD21 ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -58.01 -39.46 78.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.511 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 71' ' ' LEU . 44.2 m-20 -55.15 -46.63 75.7 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.312 0.577 . . . . 0.0 109.935 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 94.4 mt-10 -64.63 -39.51 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.332 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.43 -35.72 58.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.348 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.539 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 4.4 t-105 -55.31 -41.55 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.826 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -58.52 -38.17 77.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.434 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 81' ' ' ASP . 25.1 mttm -58.95 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.727 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.501 ' O ' ' O ' ' A' ' 80' ' ' LYS . 65.1 t0 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.558 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -61.05 152.65 69.85 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.087 2.524 . . . . 0.0 112.465 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.813 ' H ' HD12 ' A' ' 3' ' ' LEU . 3.6 mp -80.03 142.34 35.06 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.62 -143.3 4.0 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -65.1 -5.11 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.98 0.419 . . . . 0.0 110.07 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 6' ' ' MET . 1.7 mpp? -90.75 -24.28 20.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.594 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -59.24 140.28 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.397 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -76.78 -178.0 4.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.711 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -74.21 149.74 40.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.04 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 p -85.03 159.88 20.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.243 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -54.54 -40.57 68.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.776 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.23 -43.95 76.82 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.16 -40.24 94.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 109.184 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.503 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.6 t-105 -63.41 -48.4 77.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.765 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.593 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 64.7 m-20 -56.23 -43.89 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.989 0.423 . . . . 0.0 111.024 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.38 -41.61 97.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 34.4 tp -62.22 -39.89 94.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.436 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.4 mttt -57.62 -42.09 82.64 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.076 0.465 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.593 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 4.2 mp0 -64.41 -39.59 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.12 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.629 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 90.4 m-20 -58.55 -42.88 88.88 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.933 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 54' ' ' LEU . 29.3 m-85 -63.85 -50.46 68.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.595 HG23 ' ND2' ' A' ' 45' ' ' ASN . 77.7 mt -58.08 -42.21 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.6 m -58.48 -49.95 75.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.553 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.57 75.45 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.672 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.455 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 4.7 mm -71.76 -46.41 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.653 -0.322 . . . . 0.0 110.82 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.744 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -80.26 -28.12 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -72.84 -44.77 61.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.576 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -88.86 167.23 13.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.127 0.489 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 31' ' ' LYS . 46.2 tp10 -59.37 -23.64 62.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.802 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HA ' HD13 ' A' ' 33' ' ' LEU . 53.3 mm-40 -50.54 -7.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.279 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.556 ' H ' ' C ' ' A' ' 29' ' ' GLU . 15.1 pttp -60.01 -30.38 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.752 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -58.53 -35.85 72.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 33' ' ' LEU . 8.3 mp -62.74 -36.89 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.768 HG22 HE22 ' A' ' 46' ' ' GLN . 0.9 OUTLIER -68.22 -37.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.486 ' O ' ' OD1' ' A' ' 39' ' ' ASN . . . -61.65 -43.21 99.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.202 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -63.24 -43.25 98.6 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.616 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -62.24 -41.67 98.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -152.58 100.82 2.59 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.501 0.667 . . . . 0.0 111.395 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.577 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 90.6 m-20 -66.95 150.62 48.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.878 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 80.97 -12.43 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.198 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.661 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -124.91 79.2 64.92 Favored Pre-proline 0 C--N 1.333 -0.135 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.53 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -79.52 -64.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 123.045 2.497 . . . . 0.0 112.308 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.681 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 73.4 mt -63.03 -27.26 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.113 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.8 tpt -56.82 -34.82 68.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.133 0.492 . . . . 0.0 109.715 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 55.9 m-80 44.12 29.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.47 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.768 HE22 HG22 ' A' ' 34' ' ' VAL . 11.2 pm0 45.05 64.43 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.889 0.852 . . . . 0.0 109.831 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.691 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.3 mt -48.56 -48.13 38.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.121 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.583 ' CG ' HD12 ' A' ' 49' ' ' LEU . 29.9 p-10 -59.78 -53.67 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.583 HD12 ' CG ' ' A' ' 48' ' ' ASP . 7.1 mp -69.56 -41.98 75.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 50' ' ' LEU . 7.5 tt -58.5 -44.04 89.28 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.839 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.691 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 13.0 m-70 -58.32 -49.58 76.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.56 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -58.16 -43.17 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -58.35 -54.95 41.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.658 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 21' ' ' PHE . 9.5 tp -56.72 -52.44 64.97 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.757 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -56.42 -43.6 79.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.134 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 13.2 ttm105 -63.24 -31.53 72.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.965 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -112.85 17.57 18.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.378 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.576 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.3 ptm180 -50.28 -34.09 22.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.086 0.47 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.39 -31.33 67.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.645 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.73 -27.42 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 0.0 111.054 179.696 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.576 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.0 p -61.61 -29.54 70.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.576 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 98.9 mt-10 -77.57 -12.0 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 30.0 mtmt -84.69 23.06 1.21 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.724 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.03 -45.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.638 178.737 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttm 67.71 -19.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.605 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.8 p -86.34 123.84 32.03 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.629 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 7.1 tptm -58.56 -51.91 67.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.304 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -56.83 -40.9 76.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.037 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 46.7 m-20 -62.24 -43.49 98.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.123 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.498 HG12 ' CD1' ' A' ' 64' ' ' TRP . 73.5 mt -58.05 -50.45 78.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.731 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.33 -42.73 74.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -60.12 -44.97 94.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -64.69 -48.7 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.025 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 3.5 mp -57.57 -40.34 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -56.07 -44.4 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -67.19 -41.0 86.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.7 -36.66 78.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 0.0 109.69 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.455 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.2 t-105 -56.8 -49.05 76.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.875 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -70.14 -34.39 72.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.375 0.607 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -64.58 -36.77 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.038 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.87 -179.09 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -53.09 -58.73 1.31 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.458 2.105 . . . . 0.0 112.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.3 tp -80.88 -59.43 2.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.02 175.05 29.52 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.09 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.56 ' O ' ' C ' ' A' ' 6' ' ' MET . 85.0 p -79.56 -15.42 57.72 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 110.521 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.56 ' C ' ' O ' ' A' ' 5' ' ' SER . 46.5 mtt -22.72 114.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.033 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.583 ' OD1' ' O ' ' A' ' 7' ' ' ASN . 38.6 p-10 -167.54 139.76 3.22 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.9 0.381 . . . . 0.0 111.101 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -87.99 173.63 8.78 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.912 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -75.72 145.31 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.554 . . . . 0.0 111.446 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 18.1 p -80.73 158.0 25.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.644 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.22 -40.95 68.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 87.6 m-20 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.684 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 77.9 mm-40 -64.16 -39.37 93.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.745 0.783 . . . . 0.0 109.412 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.487 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -62.95 -48.34 79.31 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.357 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.654 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 24.0 m120 -54.37 -42.33 70.2 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.279 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.588 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -64.51 -43.31 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.615 HD11 ' CE1' ' A' ' 21' ' ' PHE . 52.1 tp -60.92 -36.45 79.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.269 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 22.8 mttm -61.72 -46.77 88.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.584 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.654 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 2.5 mp0 -60.14 -40.08 88.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.489 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.96 -44.57 96.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.793 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -63.71 -43.55 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.839 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.3 mt -58.38 -45.13 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -58.57 -45.32 89.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.621 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.1 63.47 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.498 HD11 ' CE3' ' A' ' 78' ' ' TRP . 19.5 mm -74.6 -43.79 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.81 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.13 -29.4 62.87 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.147 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.17 -40.77 44.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -82.77 159.02 22.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.0 tt0 -57.0 -24.31 52.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.6 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -51.91 -10.89 0.13 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.823 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' HG12 ' A' ' 34' ' ' VAL . 40.0 ttpt -56.44 -38.09 71.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.342 0.592 . . . . 0.0 111.532 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 12.3 t70 -66.79 -39.9 87.94 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.213 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' CD1' ' OD1' ' A' ' 79' ' ' ASN . 86.0 mt -60.74 -45.69 93.32 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.359 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 31' ' ' LYS . 10.3 p -64.81 -30.04 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.843 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.558 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -60.01 -47.02 87.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.212 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -63.37 -36.88 85.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.178 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.539 HD23 ' CD ' ' A' ' 46' ' ' GLN . 19.5 tp -57.55 -47.43 82.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.22 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.558 ' O ' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -109.47 160.75 15.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.861 0.363 . . . . 0.0 110.368 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -88.3 119.64 28.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.168 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.537 ' O ' ' C ' ' A' ' 41' ' ' ASP . 28.6 t 62.54 -78.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.426 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -29.74 98.38 0.1 Allowed Pre-proline 0 N--CA 1.465 0.319 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.492 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 73.1 Cg_endo -92.09 -66.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 123.062 2.508 . . . . 0.0 112.209 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -56.12 -36.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.805 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.525 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 11.6 ttt -48.78 -36.03 15.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.707 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.839 ' OD1' HG23 ' A' ' 22' ' ' ILE . 2.6 m120 55.58 34.31 22.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.585 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.566 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 52.94 45.67 28.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.515 0.674 . . . . 0.0 110.055 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 6.3 mt -29.22 -54.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -60.07 -54.74 42.42 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.492 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.9 tt -57.37 -44.43 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 19.4 m170 -57.98 -46.55 84.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.279 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.66 -48.38 82.04 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.432 ' CH2' ' OE1' ' A' ' 77' ' ' GLN . 69.4 t90 -56.05 -52.6 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.14 -52.21 66.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.254 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.63 -41.97 67.29 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.144 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -62.46 -33.66 75.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.577 ' O ' ' CG ' ' A' ' 60' ' ' MET . 76.7 m-70 -110.79 19.76 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.301 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.725 0.297 . . . . 0.0 111.334 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -57.37 -34.48 68.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 109.988 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.735 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.4 ppp? -60.5 -28.07 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.939 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 11.2 p -60.03 -28.03 67.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.449 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -76.82 -13.12 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.274 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.548 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 91.4 mttt -82.15 20.42 1.03 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.564 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.735 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.22 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.788 178.774 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.32 -6.27 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.0 p -89.49 174.92 7.52 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.497 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.72 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 16.2 tttm -112.24 -53.0 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.69 -37.65 87.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -65.46 -44.23 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.188 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 66' ' ' SER . 65.5 mt -61.93 -40.58 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.203 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.72 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 83.4 mt -58.08 -41.4 83.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.565 ' CE1' ' OE2' ' A' ' 76' ' ' GLU . 11.3 t-80 -61.28 -39.5 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 110.164 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -61.83 -48.15 81.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.685 178.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.9 mp -57.92 -40.38 80.28 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.65 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.37 -48.05 80.06 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.369 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.565 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 96.4 mt-10 -65.01 -39.15 93.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.546 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 89.1 mt-30 -70.46 -38.71 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.345 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.531 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 1.1 t-105 -56.69 -46.62 81.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.391 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.563 ' OD1' ' CD1' ' A' ' 33' ' ' LEU . 49.6 m-20 -65.35 -39.73 92.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' ASP . 27.0 mtpt -83.71 1.78 40.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.658 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' CG ' ' O ' ' A' ' 78' ' ' TRP . 76.9 m-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.723 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -53.21 140.03 62.12 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.773 2.315 . . . . 0.0 112.252 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 3' ' ' LEU . 6.9 mp -64.81 -34.03 77.4 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 35.82 -146.35 0.06 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.493 ' O ' ' O ' ' A' ' 6' ' ' MET . 51.4 p -92.87 10.2 32.12 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.346 0.128 . . . . 0.0 111.346 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.585 ' O ' ' O ' ' A' ' 7' ' ' ASN . 16.9 mtt -43.78 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.691 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.585 ' O ' ' O ' ' A' ' 6' ' ' MET . 0.4 OUTLIER 28.65 -151.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.652 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' ASN . 97.4 mttt -50.19 -179.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -74.1 151.04 40.22 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.029 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.406 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 27.7 p -85.22 160.36 19.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.702 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -55.07 -40.54 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.281 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.57 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 79.9 m-20 -66.78 -45.45 78.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.983 0.42 . . . . 0.0 110.708 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 93.5 mt-10 -63.9 -39.76 94.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.567 0.699 . . . . 0.0 109.422 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.487 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.1 t-105 -62.47 -45.38 93.33 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.316 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.544 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 13.8 m-20 -55.75 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.69 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.614 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -63.93 -41.91 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -59.72 -38.65 82.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.699 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 24.7 mttt -61.22 -45.78 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.49 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.694 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 2.5 mp0 -61.18 -44.2 97.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.71 -42.11 96.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CD1' HD11 ' A' ' 71' ' ' LEU . 5.6 m-30 -67.02 -45.22 78.17 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.581 HG23 HD21 ' A' ' 45' ' ' ASN . 65.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.172 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 m -56.6 -41.91 77.84 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -61.14 -32.23 79.74 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mm -73.08 -37.95 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.345 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.52 -29.24 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 75.4 mm-40 -75.99 -34.62 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.537 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.504 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 51.9 p-10 -95.34 168.41 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.346 0.594 . . . . 0.0 111.548 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.07 -25.98 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.32 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 26.3 tt0 -54.05 -15.76 1.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.798 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -57.7 -38.32 75.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.428 0.632 . . . . 0.0 109.784 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -61.11 -44.87 96.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.035 179.646 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 tp -55.21 -39.65 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.342 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -64.83 -37.1 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.13 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.59 87.89 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.467 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 30.7 mmtp -62.75 -41.17 99.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.272 0.558 . . . . 0.0 109.604 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.024 HD13 ' OE1' ' A' ' 46' ' ' GLN . 6.7 tt -68.81 -45.25 71.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.96 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.2 p -84.99 167.41 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 40' ' ' SER . 12.0 p-10 -102.69 -39.86 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.442 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 16.0 t -146.27 34.69 0.98 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.636 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.417 ' OD2' ' SD ' ' A' ' 44' ' ' MET . 2.6 m-20 -115.5 110.3 45.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -84.57 -71.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.092 1.861 . . . . 0.0 111.31 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 45' ' ' ASN . 98.5 mt -79.82 -44.27 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.711 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.8 mtp -32.19 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.161 0.505 . . . . 0.0 109.886 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.612 ' N ' ' O ' ' A' ' 43' ' ' ILE . 93.6 m-20 44.33 43.55 6.11 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.549 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 1.024 ' OE1' HD13 ' A' ' 37' ' ' LEU . 16.6 pt20 49.24 58.5 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 44' ' ' MET . 25.8 mt -48.51 -49.38 36.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.566 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 14.5 p-10 -61.16 -56.22 23.28 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB2' HE21 ' A' ' 46' ' ' GLN . 64.1 mt -61.75 -40.35 94.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.666 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.9 tt -58.94 -45.4 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.984 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -61.06 -45.97 92.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.319 -179.411 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -59.98 -48.09 83.13 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.58 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.805 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.9 tp -58.24 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.665 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -56.97 -43.24 81.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.374 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -60.89 -33.71 73.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.555 ' O ' ' CG ' ' A' ' 60' ' ' MET . 88.2 m-70 -116.04 23.32 12.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -52.55 -33.3 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.087 0.47 . . . . 0.0 110.225 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.698 ' OD1' ' N ' ' A' ' 60' ' ' MET . 45.2 p-10 -58.66 -28.89 66.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.484 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.708 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.64 -27.47 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -179.568 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 22.0 p -62.01 -28.24 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.741 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.72 -14.83 61.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.78 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 23.6 mttp -84.61 17.94 2.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.755 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.708 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.39 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.163 178.427 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp 64.05 0.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 70' ' ' ILE . 79.1 p -84.33 166.34 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 71' ' ' LEU . 23.4 tttm -98.15 -70.77 0.71 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.34 -40.13 85.35 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.673 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 29.2 t0 -61.97 -41.98 98.61 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 66' ' ' SER . 48.2 mt -58.78 -46.43 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.29 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 8.2 mp -55.21 -37.75 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.238 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -62.35 -46.8 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.337 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.673 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 13.2 mmtm -61.33 -50.73 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.0 mp -56.11 -41.84 75.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.244 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 26.7 m-20 -55.0 -42.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.438 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.05 -43.16 88.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.545 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 94.4 mm-40 -71.9 -36.68 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.759 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.06 -43.33 73.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -64.16 -36.56 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.897 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.8 -6.35 58.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.404 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 1.4 m-20 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.399 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -60.07 160.29 22.95 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.974 2.449 . . . . 0.0 112.303 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.5 tp 64.88 -93.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.516 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.12 -166.2 29.59 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -55.62 -32.6 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.547 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 75.6 mtm -71.06 115.67 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.241 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 4.5 p30 -140.93 86.11 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.104 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -69.76 -178.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.078 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -77.82 134.31 38.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.286 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.1 p -85.61 162.46 18.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.773 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.503 ' O ' ' OD1' ' A' ' 15' ' ' ASN . 94.7 m-20 -54.04 -40.16 66.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.803 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -65.39 -48.69 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.418 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.04 -39.89 95.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.396 0.617 . . . . 0.0 109.487 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.9 t-105 -63.82 -49.4 72.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.541 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.728 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 26.3 m120 -55.1 -38.64 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.089 0.471 . . . . 0.0 110.557 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -63.37 -42.61 98.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.94 -37.92 84.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.244 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.8 mttt -59.28 -44.97 92.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.728 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 2.1 mp0 -62.23 -41.7 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.762 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.38 -43.57 92.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.681 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.1 m-30 -65.64 -47.74 74.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.584 HG23 ' CG ' ' A' ' 45' ' ' ASN . 95.4 mt -59.16 -43.87 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.384 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 t -57.62 -46.49 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.349 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.521 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.02 -31.92 69.7 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.622 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 65.4 mt -70.5 -51.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.824 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -68.54 -31.68 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 0.0 109.764 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tm-20 -75.39 -42.52 53.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.962 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 39.6 p30 -88.5 163.14 16.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.277 0.56 . . . . 0.0 111.221 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' A' ' 31' ' ' LYS . 31.5 tt0 -63.05 -25.67 68.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.412 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -54.5 -7.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.967 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 29' ' ' GLU . 17.4 tttm -50.22 -28.05 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.954 0.407 . . . . 0.0 110.588 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -59.26 -36.32 75.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.585 HD21 ' ND2' ' A' ' 79' ' ' ASN . 7.9 mp -56.1 -40.86 74.32 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.604 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -43.68 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.065 0.46 . . . . 0.0 109.784 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.697 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -62.76 -40.53 97.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.714 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' NZ ' ' HB2' ' A' ' 36' ' ' LYS . 10.3 mtmp? -61.92 -39.98 93.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.215 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.743 HD13 ' OE1' ' A' ' 46' ' ' GLN . 9.2 tt -77.55 -38.84 47.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -114.78 -16.26 11.79 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.575 0.584 . . . . 0.0 112.575 -178.449 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.697 ' N ' ' O ' ' A' ' 35' ' ' ALA . 81.7 m-20 55.74 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.382 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.601 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 36.9 m -74.23 124.73 26.95 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.341 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 40' ' ' SER . 20.1 m-20 149.22 107.46 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -57.18 -75.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 121.886 1.724 . . . . 0.0 110.956 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.774 ' O ' ' N ' ' A' ' 45' ' ' ASN . 8.7 mm -95.24 -80.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.73 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.587 ' SD ' ' OD2' ' A' ' 41' ' ' ASP . 0.0 OUTLIER 32.05 -77.55 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.411 0.444 . . . . 0.0 111.023 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.774 ' N ' ' O ' ' A' ' 43' ' ' ILE . 12.5 m120 69.33 38.45 1.84 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.743 ' OE1' HD13 ' A' ' 37' ' ' LEU . 70.1 mt-30 64.55 45.33 3.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.558 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.646 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 18.2 mt -41.56 -55.68 2.81 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.087 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -61.67 -56.04 24.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 49' ' ' LEU . 69.8 mt -67.83 -43.39 79.67 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.991 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -58.48 -41.38 85.15 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 3.9 m-70 -59.05 -49.47 77.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.905 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.616 ' CH2' ' NE2' ' A' ' 77' ' ' GLN . 36.9 t90 -53.69 -55.85 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.52 -49.63 72.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.505 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 66.6 m-20 -55.63 -43.45 76.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -64.09 -33.15 75.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.453 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.474 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.2 m-70 -109.56 18.25 20.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.318 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.54 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.9 ptm180 -54.6 -36.28 64.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.02 -28.75 66.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.724 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.0 ptt? -57.91 -30.27 65.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.827 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -60.26 -27.25 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -74.2 -13.48 60.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.767 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 32.6 mtpt -87.27 19.84 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.305 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.724 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.09 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.409 -0.517 . . . . 0.0 112.018 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt 63.57 -0.64 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.518 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 92.9 p -83.75 170.84 13.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.567 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -107.09 -67.64 0.94 Allowed 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -61.47 -39.93 92.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.989 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 63.3 m-20 -61.47 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.795 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.562 HG22 HD13 ' A' ' 74' ' ' LEU . 63.5 mt -58.26 -42.33 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.934 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 21' ' ' PHE . 80.6 mt -56.61 -41.53 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.371 . . . . 0.0 110.416 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtt -60.34 -50.64 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.562 HD13 HG22 ' A' ' 70' ' ' ILE . 6.9 mp -56.71 -42.43 79.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.792 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.534 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 94.2 m-20 -54.83 -46.78 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.811 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.7 -39.87 80.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.871 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.616 ' NE2' ' CH2' ' A' ' 53' ' ' TRP . 18.6 tt0 -68.12 -41.07 82.29 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.622 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.4 t-105 -55.37 -40.38 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.631 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.585 ' ND2' HD21 ' A' ' 33' ' ' LEU . 31.2 m120 -64.83 -43.71 92.18 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.405 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.61 -9.03 58.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.938 0.399 . . . . 0.0 110.511 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD2' ' NE1' ' A' ' 53' ' ' TRP . 42.6 t0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.549 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.66 155.72 30.55 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.953 2.436 . . . . 0.0 112.498 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -86.34 140.46 30.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.2 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.38 179.1 51.68 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -102.28 147.94 26.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.017 0.436 . . . . 0.0 110.768 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 29.1 mtt -139.68 -37.62 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.644 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -93.03 155.6 17.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.014 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.703 ' NZ ' ' NH2' ' A' ' 58' ' ' ARG . 6.4 mtmp? -93.43 -172.42 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.67 143.42 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.3 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.4 p -82.48 163.14 21.78 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -55.92 -40.01 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.908 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.683 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 98.8 m-20 -65.6 -47.32 76.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.368 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.83 -40.88 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.469 0.652 . . . . 0.0 109.277 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.617 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.5 t-105 -62.61 -45.02 94.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.357 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.587 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 69.9 m-20 -54.15 -40.33 67.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.299 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.683 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 4.6 mp0 -65.19 -42.02 93.97 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 21' ' ' PHE . 42.2 tp -59.04 -39.41 81.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.532 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 29.3 mttt -61.12 -46.85 88.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.587 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.1 mp0 -60.11 -45.27 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.923 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.09 -47.33 86.81 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.4 m-30 -59.78 -46.58 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.565 HG23 ' CB ' ' A' ' 45' ' ' ASN . 92.6 mt -57.75 -44.21 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.538 ' HA ' HD23 ' A' ' 26' ' ' LEU . 20.9 t -57.08 -43.84 82.54 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.01 93.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.581 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 13.1 mm -75.76 -40.31 39.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.989 0.423 . . . . 0.0 110.76 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.82 -30.93 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -78.57 -42.02 30.36 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.732 0.301 . . . . 0.0 111.23 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.642 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 56.8 p30 -78.81 171.91 14.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.135 0.493 . . . . 0.0 111.773 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -62.77 -29.77 70.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.642 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 91.5 mt-30 -49.35 -15.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.45 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -56.9 -33.83 67.31 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.063 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.71 -36.7 83.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.28 0.562 . . . . 0.0 109.766 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 33' ' ' LEU . 4.0 tt -64.13 -39.83 94.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.491 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 45' ' ' ASN . 1.2 t -62.09 -41.92 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.384 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.534 ' O ' ' O ' ' A' ' 39' ' ' ASN . . . -61.18 -43.51 98.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.052 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -63.73 -36.88 85.33 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.526 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD13 ' OE1' ' A' ' 46' ' ' GLN . 7.9 tt -68.69 -41.57 79.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.21 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.522 HG21 ' HG2' ' A' ' 44' ' ' MET . 37.2 m -86.43 -71.85 0.53 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.998 0.427 . . . . 0.0 110.753 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.534 ' O ' ' O ' ' A' ' 35' ' ' ALA . 10.2 t-20 -175.71 -121.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.275 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.3 p -99.66 5.01 45.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.693 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.0 137.71 94.75 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 88.6 Cg_endo -76.02 -58.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 123.086 2.524 . . . . 0.0 112.56 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 45' ' ' ASN . 67.8 mt -85.21 -88.23 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.41 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.601 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 9.8 tpt 54.38 -60.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.386 0.429 . . . . 0.0 110.175 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.779 ' N ' ' O ' ' A' ' 43' ' ' ILE . 0.9 OUTLIER 57.9 9.12 0.83 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.982 179.348 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.757 ' OE1' HD13 ' A' ' 37' ' ' LEU . 60.4 mt-30 63.38 42.25 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 12.0 mt -37.91 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.714 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -58.74 -56.68 19.06 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.7 mp -69.1 -41.01 78.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.272 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.35 -45.58 91.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.079 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 22.2 m170 -60.23 -48.89 79.8 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.456 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -61.1 -46.93 88.6 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.516 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.08 -53.05 62.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.91 -49.95 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.617 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 88.2 m-20 -58.11 -43.97 87.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 56' ' ' ARG . 39.2 ttp180 -61.35 -31.53 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.367 . . . . 0.0 110.79 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 60' ' ' MET . 4.2 m-70 -105.46 16.28 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.792 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.703 ' NH2' ' NZ ' ' A' ' 8' ' ' LYS . 13.2 ptm180 -54.24 -36.85 64.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -57.39 -27.03 61.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.678 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 11.5 ptm -57.03 -29.4 63.34 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.756 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.477 ' HA ' ' HE1' ' A' ' 64' ' ' TRP . 9.0 p -62.24 -28.52 69.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.888 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.96 -13.26 62.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.44 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 8.4 mttp -87.83 17.96 4.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.678 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -167.0 -45.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.148 178.795 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 tttm 69.05 -7.16 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.402 . . . . 0.0 110.231 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' TRP . 21.3 p -82.46 -156.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.238 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -133.0 -63.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.914 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.95 -37.43 82.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 111.411 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.877 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.584 HG22 HD13 ' A' ' 74' ' ' LEU . 63.2 mt -58.74 -42.46 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 48.3 mt -55.85 -43.2 76.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.696 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.594 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 71.1 m-70 -60.66 -46.43 90.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.287 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -61.66 -51.71 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.531 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 70' ' ' ILE . 10.7 mp -56.57 -35.4 68.13 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.761 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 70.0 m-20 -56.29 -49.2 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.097 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.594 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 23.5 mp0 -65.6 -37.42 86.58 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.549 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -70.02 -36.9 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.2 t-105 -57.75 -47.86 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.41 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -69.63 -34.35 73.93 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.261 0.553 . . . . 0.0 109.989 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -81.92 -7.69 59.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.672 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 t0 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.314 179.848 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -48.27 142.44 16.68 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.732 2.288 . . . . 0.0 111.945 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.543 ' CG ' ' H ' ' A' ' 4' ' ' GLY . 5.6 tp -105.42 -125.81 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.89 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.543 ' H ' ' CG ' ' A' ' 3' ' ' LEU . . . 80.64 -176.2 54.7 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -86.35 -6.89 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.659 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.418 ' HG3' ' H ' ' A' ' 6' ' ' MET . 0.0 OUTLIER -84.17 98.9 10.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.587 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 8' ' ' LYS . 51.6 t30 -163.54 109.51 1.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.505 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 7' ' ' ASN . 17.4 pttp -50.36 -174.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.007 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -75.1 141.49 43.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.032 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 65.7 p -84.59 162.28 19.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.501 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -54.16 -42.46 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.727 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -65.92 -45.83 80.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.498 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 76.7 mm-40 -63.57 -41.4 98.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 109.577 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 4.6 t-105 -63.6 -47.95 79.34 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.96 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.512 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 81.3 m-20 -54.03 -39.33 66.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.958 0.408 . . . . 0.0 110.18 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -63.27 -43.15 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.772 HD11 ' CE1' ' A' ' 21' ' ' PHE . 67.0 tp -60.65 -38.16 83.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.684 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HD3' ' HD1' ' A' ' 51' ' ' HIS . 35.6 mttt -60.78 -45.33 94.79 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.663 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.512 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.5 mp0 -60.55 -44.04 96.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.916 0.388 . . . . 0.0 110.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.41 -42.35 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.53 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.1 m-30 -67.26 -47.98 69.09 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG23 ' OD1' ' A' ' 45' ' ' ASN . 91.4 mt -58.22 -45.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 27' ' ' GLU . 27.4 t -55.2 -43.03 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . -59.6 -32.53 73.86 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 11.3 mm -73.45 -43.97 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -81.4 -34.22 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.917 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.0 mt-10 -76.25 -44.33 37.85 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.059 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 40.9 t30 -79.47 167.69 20.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -57.51 -24.43 55.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.237 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -54.62 -14.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.386 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' CA ' ' O ' ' A' ' 25' ' ' ILE . 15.2 pttp -54.05 -41.64 68.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.507 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 51.1 p30 -65.43 -34.93 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.697 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -65.92 -39.34 90.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -60.5 -41.13 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -61.65 -39.07 90.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.254 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -59.63 -42.36 92.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.607 HD13 ' NE2' ' A' ' 46' ' ' GLN . 9.2 tt -67.19 -40.55 86.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.61 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.584 ' O ' ' C ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -123.74 106.65 10.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.199 -179.178 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.584 ' C ' ' O ' ' A' ' 38' ' ' THR . 61.4 t30 18.62 -114.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.671 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.2 m -131.23 34.82 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.342 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.656 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -58.84 142.87 83.93 Favored Pre-proline 0 C--N 1.331 -0.22 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.681 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -76.94 -102.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.713 2.276 . . . . 0.0 112.784 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 43' ' ' ILE . 97.4 mt -81.36 -7.62 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.856 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.412 ' CE ' ' HB2' ' A' ' 47' ' ' LEU . 16.5 tpt -46.63 -43.91 17.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.348 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.466 ' OD1' HG23 ' A' ' 22' ' ' ILE . 7.8 m120 49.52 28.83 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.572 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.607 ' NE2' HD13 ' A' ' 37' ' ' LEU . 7.8 mt-30 65.35 42.13 4.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.796 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.1 mt -43.85 -55.89 4.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.115 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -59.3 -53.92 52.73 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 mp -67.65 -39.45 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.822 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.3 tt -59.94 -45.87 91.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.851 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.696 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 56.2 m-70 -56.89 -48.66 77.67 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.576 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 10.5 mtmp? -60.91 -46.18 91.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.278 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -55.6 -51.28 67.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.515 0.674 . . . . 0.0 109.423 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.2 tp -57.29 -53.09 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.85 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -54.32 -44.77 72.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.117 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -65.65 -31.64 72.76 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.918 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.573 ' O ' ' CG ' ' A' ' 60' ' ' MET . 1.8 m-70 -110.18 16.9 21.48 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.403 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.55 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.9 ptm180 -52.9 -34.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.41 -26.44 63.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.095 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.17 -30.28 62.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.958 -179.497 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 30.4 p -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.0 111.441 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -72.65 -13.1 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.657 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 48.4 mttp -86.45 18.96 2.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.04 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.994 178.548 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm 56.12 3.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.627 ' O ' HD12 ' A' ' 70' ' ' ILE . 87.6 p -83.15 177.65 8.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -115.56 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.916 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.89 -39.9 91.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 42.4 m-20 -62.06 -43.94 97.76 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.28 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 66' ' ' SER . 34.0 mt -61.86 -41.51 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 71' ' ' LEU . 42.8 mt -56.45 -40.13 74.3 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.121 0.486 . . . . 0.0 110.362 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -61.23 -44.2 97.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.174 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.96 -52.25 65.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.347 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD13 HG22 ' A' ' 70' ' ' ILE . 7.2 mp -58.28 -37.82 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.218 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.84 -43.36 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.393 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -63.87 -40.97 97.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -69.6 -38.06 77.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.291 0.567 . . . . 0.0 109.602 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -41.89 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.392 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -63.72 -41.71 98.03 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.28 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -82.06 -0.96 46.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.711 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.45 147.44 37.82 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.468 2.112 . . . . 0.0 111.857 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 2.4 mm? -92.39 -72.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.514 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.56 127.28 0.89 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.779 -1.329 . . . . 0.0 109.779 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -56.17 113.68 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.175 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.0 ttp 179.77 -34.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -84.13 154.29 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -50.63 163.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -77.26 144.19 38.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.294 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 23.6 p -85.46 163.04 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.34 -43.08 70.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.171 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -65.14 -45.01 86.8 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.055 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -65.55 -41.23 93.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.568 0.699 . . . . 0.0 109.534 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.6 t-105 -61.92 -46.11 90.77 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.004 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.525 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 97.5 m-20 -55.75 -38.93 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 110.802 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.6 -42.96 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.631 HD11 ' CE1' ' A' ' 21' ' ' PHE . 47.9 tp -60.89 -38.96 87.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.538 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.585 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 30.2 mttm -59.63 -45.4 92.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.525 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -62.05 -42.07 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.736 -179.533 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 88.9 m-20 -61.62 -46.07 91.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.634 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.6 m-30 -61.92 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.444 HD12 ' NE2' ' A' ' 19' ' ' GLN . 87.6 mt -58.83 -50.25 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.111 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.3 t -56.68 -42.44 79.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.88 -34.96 85.17 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.509 ' HB ' ' ND2' ' A' ' 45' ' ' ASN . 89.9 mt -74.41 -30.69 26.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.281 . . . . 0.0 111.493 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.71 -25.67 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.899 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.43 -23.83 34.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.695 ' ND2' ' CG ' ' A' ' 30' ' ' GLN . 42.7 p-10 -105.32 173.7 6.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.398 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.47 -26.59 65.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.773 ' OE1' HD12 ' A' ' 33' ' ' LEU . 87.5 mm-40 -53.31 -19.37 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.13 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 12.4 pttt -49.45 -36.91 23.95 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 51.6 t0 -66.19 -42.87 88.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.719 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.773 HD12 ' OE1' ' A' ' 30' ' ' GLN . 37.2 mt -62.63 -28.96 70.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.594 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.551 HG22 ' OE1' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.59 -47.25 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.251 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -58.9 -35.89 73.79 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.734 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -63.32 -47.0 84.03 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.741 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 37' ' ' LEU . 5.7 tt -62.61 -36.73 83.7 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.631 HG22 ' H ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -95.13 177.62 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.374 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.631 ' H ' HG22 ' A' ' 38' ' ' THR . 25.8 t30 -66.49 -63.58 1.04 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.305 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.572 ' OG ' ' O ' ' A' ' 39' ' ' ASN . 5.1 m -174.31 56.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.106 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.521 ' OD2' HG21 ' A' ' 38' ' ' THR . 29.0 m-20 -97.26 152.93 38.54 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.417 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -83.52 -97.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.475 2.117 . . . . 0.0 111.701 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 HD22 ' A' ' 26' ' ' LEU . 57.8 mt -69.92 -22.58 24.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.16 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 107.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.341 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.509 ' ND2' ' HB ' ' A' ' 25' ' ' ILE . 17.7 m-20 -96.25 51.57 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.266 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.551 ' OE1' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 50.21 65.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.745 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.715 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.2 mt -47.98 -53.68 15.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.384 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.39 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.88 -42.64 80.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.404 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.5 tt -59.27 -43.95 92.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.824 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.715 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 31.8 m-70 -58.52 -49.63 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.582 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -61.26 -48.37 81.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.748 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -56.89 -53.19 60.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.7 -51.74 66.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.24 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.537 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 83.9 m-20 -58.6 -40.32 82.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.065 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.95 -33.33 75.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.844 0.354 . . . . 0.0 111.269 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 60' ' ' MET . 83.5 m-70 -110.88 18.01 19.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 3.3 ptm180 -51.55 -34.82 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.44 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.9 p-10 -57.9 -29.2 64.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.404 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.687 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -60.8 -27.14 67.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.45 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.7 p -61.56 -28.61 69.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.527 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -74.82 -11.46 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.529 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtmt -84.28 20.87 1.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.256 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.687 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.78 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt 62.06 -0.37 0.47 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.614 ' O ' HD12 ' A' ' 70' ' ' ILE . 97.2 p -89.46 161.28 16.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.189 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' A' ' 20' ' ' ASP . 12.9 tttm -94.61 -62.93 1.24 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.46 -37.7 84.56 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -46.35 87.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 110.929 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 66' ' ' SER . 69.9 mt -59.72 -43.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.549 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.93 -40.14 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.187 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -60.33 -44.05 95.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.643 ' HB3' ' HZ2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.83 -52.05 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.497 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 78' ' ' TRP . 6.2 mp -57.2 -40.53 77.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.811 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.62 -47.0 77.3 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -67.13 -40.56 86.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.5 -38.58 74.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.976 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.48 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 2.8 t-105 -54.51 -45.44 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.615 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -63.11 -41.89 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -73.75 -28.45 61.69 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.526 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 49.8 t0 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 111.043 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -51.52 150.02 16.85 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.603 2.202 . . . . 0.0 111.835 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.8 ' H ' HD12 ' A' ' 3' ' ' LEU . 5.3 mp -65.54 147.6 53.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.911 0.386 . . . . 0.0 110.255 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.555 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . 29.14 -150.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -84.55 10.14 11.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.107 0.48 . . . . 0.0 110.043 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.414 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 12.2 mmt -45.56 116.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.353 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 6' ' ' MET . 1.7 m120 -175.76 166.89 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.243 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -78.94 -177.38 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.679 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -76.33 147.13 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.757 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -88.39 160.16 17.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.681 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.48 -41.17 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.624 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -64.74 -43.78 92.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.26 -41.51 94.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.898 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.526 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.6 t-105 -64.14 -46.39 84.31 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.551 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.523 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 95.6 m-20 -57.43 -37.37 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 110.335 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.12 -44.6 91.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.209 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.805 HD11 ' CE1' ' A' ' 21' ' ' PHE . 34.6 tp -63.46 -37.01 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.327 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 21.8 mttm -59.06 -46.87 87.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.151 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -61.02 -44.2 97.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.481 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -59.8 -43.98 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.612 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.805 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.7 m-30 -68.04 -46.52 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.678 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.614 ' CG2' ' ND2' ' A' ' 45' ' ' ASN . 79.2 mt -57.24 -47.85 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 m -55.64 -40.93 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.53 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -60.39 -32.16 76.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.44 HG21 HG23 ' A' ' 34' ' ' VAL . 39.5 mm -75.62 -35.25 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -86.41 -32.36 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.696 -179.102 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.8 mt-10 -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.723 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.739 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 47.9 p-10 -99.35 175.11 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 111.74 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 31' ' ' LYS . 46.3 tt0 -63.24 -26.28 68.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.715 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.739 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 45.1 mt-30 -49.88 -11.32 0.06 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.989 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 29' ' ' GLU . 5.1 ttmm -51.61 -38.14 53.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.635 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -53.12 -31.31 41.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 78' ' ' TRP . 77.1 mt -60.92 -36.03 78.23 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.139 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG23 HG21 ' A' ' 25' ' ' ILE . 20.2 t -59.05 -44.58 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -65.43 -36.08 82.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.133 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' HD2' HD23 ' A' ' 33' ' ' LEU . 43.6 mttt -66.51 -46.53 75.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.011 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.835 HD23 ' NE2' ' A' ' 46' ' ' GLN . 35.5 tp -67.74 -37.3 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' ' 39' ' ' ASN . 84.0 m -99.03 -64.55 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.632 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.657 ' N ' ' O ' ' A' ' 35' ' ' ALA . 12.6 t-20 71.35 29.27 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.149 0.5 . . . . 0.0 110.102 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.04 -41.87 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.907 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.66 ' OD2' ' SD ' ' A' ' 44' ' ' MET . 3.4 m-20 -94.6 151.87 39.52 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.89 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.509 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 58.3 Cg_endo -72.86 -81.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.899 2.399 . . . . 0.0 111.619 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.748 ' O ' ' N ' ' A' ' 45' ' ' ASN . 56.8 mt -91.68 -69.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.92 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.71 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 25.7 ttt 26.12 -76.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.643 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.748 ' N ' ' O ' ' A' ' 43' ' ' ILE . 23.1 m-80 95.25 24.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.265 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.835 ' NE2' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 51.91 55.48 9.22 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 47' ' ' LEU . 51.0 mt -46.9 -51.02 17.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.775 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.55 -49.75 76.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.651 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.8 mm? -69.54 -41.42 75.96 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.152 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.54 -43.91 93.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.922 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -47.69 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.482 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.2 -45.63 92.51 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -57.56 -55.38 35.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.8 tp -55.43 -50.21 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.58 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.19 -47.06 82.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 tpt85 -61.74 -31.53 71.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.769 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' O ' ' HG2' ' A' ' 60' ' ' MET . 95.2 m-70 -110.52 15.52 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.497 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.564 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.7 ptm180 -51.15 -36.26 39.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -55.69 -31.94 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.525 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.0 ptt? -58.23 -27.81 64.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.567 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.7 p -61.01 -27.19 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.542 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -71.66 -16.19 62.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 47.9 mttp -87.45 19.92 3.1 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.716 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.0 -49.38 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.092 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 62.02 4.07 1.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.709 ' O ' HD12 ' A' ' 70' ' ' ILE . 37.0 p -89.54 163.43 15.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -92.93 -66.26 0.94 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -63.75 -38.67 91.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 45.2 t0 -62.8 -45.13 94.08 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.117 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 66' ' ' SER . 56.4 mt -60.63 -43.76 95.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.157 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 71' ' ' LEU . 67.5 mt -53.8 -40.25 66.17 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.949 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.429 ' O ' ' OE2' ' A' ' 76' ' ' GLU . 17.6 t-80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.154 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 14.6 mmmt -63.32 -52.84 60.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.215 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 74' ' ' LEU . 6.8 mp -57.13 -37.17 71.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.251 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.731 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 33.9 m-20 -58.21 -47.71 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.357 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -65.87 -38.84 89.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.295 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.547 ' OE1' ' O ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -69.33 -40.15 77.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.024 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.564 ' CD1' HD13 ' A' ' 33' ' ' LEU . 1.3 t-105 -55.46 -49.91 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.984 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' OD1' HD11 ' A' ' 33' ' ' LEU . 55.6 m-20 -67.42 -41.08 85.43 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -86.8 5.14 38.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.825 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.558 ' OD2' ' O ' ' A' ' 78' ' ' TRP . 35.0 p30 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.227 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.876 -1.289 . . . . 0.0 109.876 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 1' ' ' GLY . 56.5 Cg_endo -74.1 -86.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.97 2.447 . . . . 0.0 113.01 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 3' ' ' LEU . 31.4 tp -88.1 143.2 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.239 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.32 174.36 43.44 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 6' ' ' MET . 0.9 OUTLIER -68.1 -80.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.364 . . . . 0.0 110.525 179.614 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.411 ' N ' ' OG ' ' A' ' 5' ' ' SER . 63.0 mtt 62.73 11.2 4.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -101.88 123.55 45.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.109 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -91.52 169.5 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.184 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -77.68 144.2 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.393 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 p -88.33 160.08 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.141 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -53.75 -41.71 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.588 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 90.9 m-20 -66.13 -45.49 80.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.613 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.88 -39.82 94.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.406 0.622 . . . . 0.0 109.521 178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.502 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 5.9 t-105 -59.97 -46.09 90.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.589 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -57.08 -37.7 72.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.586 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.6 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.91 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.215 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 60.4 tp -63.79 -36.85 85.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.232 178.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.547 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 44.8 mttt -58.09 -42.77 86.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.0 -40.6 98.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.456 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 77.2 m-20 -59.43 -44.83 92.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.909 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CE1' HD22 ' A' ' 74' ' ' LEU . 32.5 m-85 -65.28 -47.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.618 HG23 ' ND2' ' A' ' 45' ' ' ASN . 71.1 mt -58.39 -42.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -59.18 -46.08 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.537 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.37 -34.53 81.06 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.41 ' HA ' HD13 ' A' ' 25' ' ' ILE . 45.3 mm -71.63 -43.93 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.138 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.889 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.11 -28.1 60.11 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.551 -179.59 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -77.34 -38.53 50.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.235 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 54.0 p30 -92.56 150.62 20.63 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 121.268 0.556 . . . . 0.0 111.046 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 31' ' ' LYS . 77.9 tt0 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.186 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -48.0 -9.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.236 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 29' ' ' GLU . 42.4 tttt -53.48 -32.36 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 75.2 m-20 -53.21 -37.36 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.29 -36.94 85.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.033 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 38' ' ' THR . 1.0 OUTLIER -65.13 -41.1 90.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.194 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.05 86.66 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.151 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 38.4 mmtt -66.41 -42.58 87.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.653 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.87 HD22 ' OE1' ' A' ' 46' ' ' GLN . 7.8 tt -57.05 -38.17 72.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.797 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -100.51 -76.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 -179.475 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.483 ' N ' ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -175.41 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.693 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t 174.8 63.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.135 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.45 145.51 30.12 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.755 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.83 -91.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.887 2.391 . . . . 0.0 112.288 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.725 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 58.3 mt -106.18 -11.48 10.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.275 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 8.2 ttt -53.18 -32.63 48.88 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 110.295 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.725 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 6.0 p30 46.23 37.4 3.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.87 ' OE1' HD22 ' A' ' 37' ' ' LEU . 15.6 pt20 49.81 58.09 5.82 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.314 0.578 . . . . 0.0 110.701 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.0 mt -45.33 -52.37 9.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.568 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.94 -49.25 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.5 mp -65.57 -40.82 93.19 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.037 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 50' ' ' LEU . 6.3 tt -59.06 -44.62 91.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.61 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 64.6 m-70 -61.15 -48.54 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.09 -45.31 93.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.048 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -57.41 -52.67 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.317 0.579 . . . . 0.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.82 -51.95 65.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.283 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.03 -42.67 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.561 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -61.61 -32.44 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 111.58 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 47.8 m-70 -115.48 21.73 13.78 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.264 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.0 ptm180 -55.66 -35.77 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 60' ' ' MET . 25.6 p-10 -59.5 -26.76 65.56 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.738 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.3 ptt? -58.95 -28.11 65.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.384 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.5 p -59.45 -29.77 68.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.572 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.349 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 3.8 mtpm? -85.3 21.7 1.66 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.738 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.68 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 178.096 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 60.73 5.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.234 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.55 ' O ' HD12 ' A' ' 70' ' ' ILE . 60.2 p -90.03 173.74 8.03 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' NZ ' ' HB3' ' A' ' 20' ' ' ASP . 19.2 tptt -101.4 -66.48 0.91 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 111.914 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 9.2 pt-20 -62.41 -41.83 98.98 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 68' ' ' GLU . 36.8 t0 -60.13 -45.76 91.94 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.666 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 66' ' ' SER . 45.8 mt -58.75 -44.49 90.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.813 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.573 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 66.4 mt -57.08 -39.61 75.32 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.062 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.619 ' NE2' ' OE2' ' A' ' 76' ' ' GLU . 47.3 t-80 -60.35 -47.18 87.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.6 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.606 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.8 mptp? -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.774 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.574 HD22 ' CE1' ' A' ' 21' ' ' PHE . 6.6 mp -58.81 -35.38 72.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.573 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 18.1 m120 -55.59 -51.07 68.37 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.276 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.619 ' OE2' ' NE2' ' A' ' 72' ' ' HIS . 9.0 mp0 -67.32 -35.75 80.07 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.606 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 9.6 mp0 -72.89 -38.48 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.012 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -59.29 -45.13 92.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.228 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -63.39 -42.19 98.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -86.07 1.03 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.511 -179.771 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -52.92 148.86 28.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.779 2.319 . . . . 0.0 111.815 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 tp -67.0 -119.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.412 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 153.41 14.27 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -85.0 -1.96 57.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.345 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' ASN . 24.5 ptt? -61.41 -153.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.38 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' MET . 57.2 m-20 36.48 -150.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.334 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -81.79 -174.43 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.426 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -75.86 153.1 37.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.503 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.1 p -83.07 159.7 22.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.704 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -54.42 -40.65 68.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.251 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.9 -45.97 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.045 0.45 . . . . 0.0 110.253 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.6 -38.55 87.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.707 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.479 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 2.2 t-105 -61.46 -47.54 85.24 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.008 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -55.48 -40.94 72.31 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.085 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -64.22 -46.24 84.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.714 HD11 ' CE1' ' A' ' 21' ' ' PHE . 26.6 tp -63.66 -38.11 89.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.81 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.521 ' HD2' ' ND1' ' A' ' 51' ' ' HIS . 8.6 mtmp? -61.51 -45.42 94.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.088 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -61.5 -40.84 96.05 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.728 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.49 -47.57 83.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.449 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.714 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.0 m-30 -61.47 -43.75 98.31 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.51 HG23 HD22 ' A' ' 45' ' ' ASN . 82.5 mt -57.56 -48.49 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.963 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 16.9 m -56.47 -43.76 79.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.416 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.35 -34.95 87.12 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.45 ' HA ' HD13 ' A' ' 25' ' ' ILE . 29.1 mm -69.89 -42.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 111.037 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.92 -26.73 49.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 23' ' ' SER . 57.5 mm-40 -72.42 -32.89 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.642 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -91.38 153.81 19.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 111.437 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.67 -26.94 65.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 32' ' ' ASP . 96.5 mt-30 -56.56 -22.39 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.59 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.591 ' O ' HG12 ' A' ' 34' ' ' VAL . 50.4 pttt -39.97 -28.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.153 0.501 . . . . 0.0 110.592 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' GLN . 95.8 m-20 -58.42 -33.7 69.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.1 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OD1' ' A' ' 79' ' ' ASN . 64.8 mt -62.8 -43.98 97.38 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.158 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.4 p -70.97 -30.51 41.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.648 ' O ' ' N ' ' A' ' 40' ' ' SER . . . -61.01 -45.23 95.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.737 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -64.86 -40.41 95.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.011 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.986 HD13 ' OE1' ' A' ' 46' ' ' GLN . 8.4 tt -57.28 -36.56 71.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.448 ' CG2' ' HG2' ' A' ' 46' ' ' GLN . 74.3 p -102.98 26.22 8.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.63 60.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.423 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.648 ' N ' ' O ' ' A' ' 35' ' ' ALA . 2.9 p 44.94 69.98 0.38 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.629 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.32 132.05 21.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.716 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -43.29 -79.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.029 1.819 . . . . 0.0 112.183 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.788 ' O ' ' N ' ' A' ' 45' ' ' ASN . 64.3 mt -103.38 -89.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.515 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 16.9 tpt 45.91 -64.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.776 0.672 . . . . 0.0 111.716 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.788 ' N ' ' O ' ' A' ' 43' ' ' ILE . 79.7 m-20 61.17 22.52 12.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 0.0 110.213 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.986 ' OE1' HD13 ' A' ' 37' ' ' LEU . 20.6 mt-30 62.31 42.25 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.987 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.673 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 54.5 mt -31.75 -54.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.113 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.16 -58.81 6.41 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -64.62 -39.84 94.42 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.966 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 50' ' ' LEU . 3.3 tt -58.23 -43.61 87.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 9.3 m-70 -57.57 -48.03 80.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.815 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -59.6 -46.38 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.513 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.572 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 56.3 t90 -58.53 -55.04 40.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.731 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.9 tp -55.4 -48.98 73.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.121 -178.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -56.04 -46.64 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.682 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.04 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.208 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 53' ' ' TRP . 29.8 m80 -104.51 9.4 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.358 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 54' ' ' LEU . 12.1 ptm180 -54.24 -36.69 63.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.954 0.407 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.97 -33.72 70.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.762 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.744 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.6 ppp? -57.84 -27.21 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.332 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 60' ' ' MET . 8.6 p -61.63 -27.79 68.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -71.98 -14.17 61.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 11.4 mttp -87.19 20.35 2.79 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.864 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.744 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.91 -53.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.13 178.542 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 65' ' ' LYS . 6.6 ttpm? 52.69 10.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.532 ' N ' ' C ' ' A' ' 64' ' ' TRP . 16.6 p -86.59 10.41 15.56 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.078 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.96 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' SER . 83.8 tt0 -57.52 -39.3 76.25 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.795 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.649 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -61.68 -41.19 97.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.687 HG22 HD13 ' A' ' 74' ' ' LEU . 33.9 mt -59.86 -44.03 93.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.451 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 71' ' ' LEU . 57.9 mt -56.76 -41.47 77.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.111 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -62.38 -43.63 98.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.899 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.649 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 42.7 mmtm -62.98 -51.82 65.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.687 HD13 HG22 ' A' ' 70' ' ' ILE . 8.1 mp -55.55 -42.37 74.56 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.493 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.52 -45.47 88.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.369 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.97 -40.62 96.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.091 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HA ' ' HZ2' ' A' ' 80' ' ' LYS . 8.8 pt20 -76.57 -32.89 58.43 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.194 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -54.62 -44.32 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' OD1' ' CD1' ' A' ' 33' ' ' LEU . 71.8 m-20 -70.46 -41.48 72.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.519 ' HB2' ' HZ2' ' A' ' 80' ' ' LYS . 10.2 mtmp? -82.67 1.9 36.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.102 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.858 -179.561 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.75 152.05 81.31 Favored 'Trans proline' 0 C--N 1.303 -1.836 0 C-N-CA 123.133 2.556 . . . . 0.0 112.579 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 3' ' ' LEU . 21.7 tp -65.92 -29.25 69.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.43 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.62 -129.62 39.48 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -112.8 11.57 19.36 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.109 -0.237 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.602 ' O ' ' O ' ' A' ' 7' ' ' ASN . 19.4 mmt -45.89 -90.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.199 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.653 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 8.7 t-20 31.47 -163.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.634 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.653 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 29.8 mtpt -92.09 159.39 15.71 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.711 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.12 136.94 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.358 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.9 p -81.28 159.07 24.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.085 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.16 -40.2 70.38 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.094 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -64.21 -43.88 93.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -69.01 -37.5 78.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.324 0.583 . . . . 0.0 109.619 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.472 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -63.61 -47.32 81.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.348 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -54.4 -40.69 68.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.56 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -62.9 -42.46 99.78 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HG ' ' CE2' ' A' ' 21' ' ' PHE . 25.2 tp -62.28 -37.79 86.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.352 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 22.5 mttm -60.22 -45.24 93.87 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.519 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 23' ' ' SER . 94.0 mm-40 -60.24 -39.86 88.21 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.61 -43.56 80.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.641 ' CE1' ' CD2' ' A' ' 74' ' ' LEU . 30.3 m-85 -69.06 -53.4 20.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.017 0.437 . . . . 0.0 110.326 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.5 mt -59.38 -38.36 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.98 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 17.6 t -60.66 -49.43 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.051 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.59 -21.56 74.69 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.404 ' CG2' HG11 ' A' ' 34' ' ' VAL . 4.3 mm -73.56 -41.45 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.419 . . . . 0.0 110.71 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 26' ' ' LEU . 1.5 pp -85.7 -24.77 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.89 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' N ' HD12 ' A' ' 26' ' ' LEU . 53.4 tp10 -74.55 -38.39 62.74 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.474 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.416 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 51.1 p30 -91.86 162.12 14.56 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.731 0.3 . . . . 0.0 110.973 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.5 tt0 -57.91 -27.4 63.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.996 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.733 HE22 ' CB ' ' A' ' 75' ' ' ASN . 43.2 mt-30 -51.49 -7.57 0.05 OUTLIER 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.836 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 29' ' ' GLU . 41.9 tttm -55.68 -37.74 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.353 0.596 . . . . 0.0 109.727 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 60.1 t0 -61.0 -36.32 79.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.703 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -65.76 -46.09 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.53 ' O ' HG22 ' A' ' 38' ' ' THR . 2.7 p -64.81 -35.54 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.181 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.08 89.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -64.3 -35.85 82.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.172 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 37' ' ' LEU . 9.5 tt -59.45 -36.09 75.28 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.647 HG23 ' H ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -117.08 -88.95 0.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.603 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.647 ' H ' HG23 ' A' ' 38' ' ' THR . 56.7 m-80 -160.25 -157.13 0.53 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.496 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -81.71 12.7 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.746 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -47.46 145.61 3.94 Favored Pre-proline 0 N--CA 1.448 -0.525 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.747 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.83 -99.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.301 -1.942 0 C-N-CA 122.852 2.368 . . . . 0.0 112.819 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.7 mt -83.95 -16.72 10.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.231 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.548 ' HA ' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -43.92 -54.11 5.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.127 -179.355 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.4 m120 47.88 38.85 9.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.61 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.661 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.3 OUTLIER 58.52 44.76 17.38 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.495 0.664 . . . . 0.0 111.002 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 2.6 mt -43.75 -53.93 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.72 -51.44 69.78 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 49' ' ' LEU . 79.6 mt -65.13 -38.22 89.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.544 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -59.07 -44.59 91.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.956 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 43.3 m-70 -59.19 -49.19 78.82 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.601 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -59.5 -46.83 87.71 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -58.0 -53.57 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.502 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.637 HD11 ' CE2' ' A' ' 21' ' ' PHE . 13.8 tp -58.23 -52.32 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.113 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -59.65 -43.54 93.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.077 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.472 ' O ' ' SD ' ' A' ' 60' ' ' MET . 94.8 m-70 -109.39 17.93 20.95 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.966 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.65 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.2 ptm180 -56.06 -33.31 64.9 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.733 ' OD1' ' N ' ' A' ' 60' ' ' MET . 35.9 p30 -56.31 -27.68 56.35 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.733 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 9.5 ptt? -59.58 -30.17 68.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.132 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.7 p -66.15 -31.06 71.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.742 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.53 -14.96 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -89.08 -75.22 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.217 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.608 ' O ' ' C ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -84.14 14.18 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.118 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.608 ' C ' ' O ' ' A' ' 64' ' ' TRP . 17.3 pttm -13.12 82.0 0.0 OUTLIER 'General case' 0 C--O 1.231 0.13 0 O-C-N 123.539 0.524 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 64' ' ' TRP . 16.4 p -153.66 177.89 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.453 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -107.73 -76.26 0.62 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -63.26 -35.26 79.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 110.512 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 80.9 m-20 -60.69 -46.49 90.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.377 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 66' ' ' SER . 29.8 mt -59.38 -38.44 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.803 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 34.0 mt -55.47 -41.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.033 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.72 -46.95 88.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.939 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 1.1 mptp? -62.76 -52.51 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.368 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.641 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 4.8 mp -57.98 -36.29 72.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.335 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.733 ' CB ' HE22 ' A' ' 30' ' ' GLN . 94.4 m-20 -56.91 -48.48 78.13 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.157 0.503 . . . . 0.0 110.026 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.24 -38.97 92.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.201 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.47 -41.65 79.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.598 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.423 ' HE1' ' HA ' ' A' ' 34' ' ' VAL . 2.3 t-105 -54.83 -45.11 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.785 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -70.93 -37.02 72.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -60.17 -43.62 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.385 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.601 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -70.27 0.93 5.29 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.655 2.237 . . . . 0.0 111.954 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.859 ' C ' HD12 ' A' ' 3' ' ' LEU . 2.1 pp -42.63 147.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.017 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 6' ' ' MET . . . 167.01 104.1 0.17 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.13 7.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.85 -0.206 . . . . 0.0 111.227 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.585 ' N ' ' O ' ' A' ' 4' ' ' GLY . 4.9 mmt -78.5 11.24 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -76.73 127.56 33.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.863 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -95.35 -175.3 3.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.538 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.403 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 60.4 m-85 -77.24 147.68 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.424 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 68.1 p -81.39 157.53 24.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.201 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -51.5 -42.26 61.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.826 0.346 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.741 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.1 m-20 -67.2 -48.13 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.141 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 98.7 mt-10 -64.82 -37.43 87.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 109.661 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.564 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 6.1 t-105 -62.16 -46.15 90.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.744 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 57.6 m-20 -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.752 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.741 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.1 mp0 -64.45 -43.52 94.01 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.003 0.43 . . . . 0.0 109.926 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.52 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.8 tp -61.07 -39.74 91.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.583 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.1 mttt -59.57 -44.52 93.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.685 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 15' ' ' ASN . 94.3 mm-40 -61.72 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.49 -45.78 92.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.131 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.66 -45.12 94.25 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.197 0.523 . . . . 0.0 109.637 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.757 HG23 ' CB ' ' A' ' 45' ' ' ASN . 78.3 mt -57.5 -49.8 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 t -54.46 -40.6 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.29 83.72 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.87 -34.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -89.48 -28.52 19.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.466 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.6 -37.17 56.88 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.739 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 38.3 t-20 -89.46 157.84 17.95 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.446 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 68.3 tt0 -58.81 -22.47 58.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 32' ' ' ASP . 64.3 mm-40 -52.13 -19.46 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.12 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' O ' HG12 ' A' ' 34' ' ' VAL . 25.0 ttpp -44.73 -21.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 36' ' ' LYS . 85.8 m-20 -59.21 -35.85 74.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.981 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.921 HD21 ' OD1' ' A' ' 79' ' ' ASN . 8.0 mp -54.71 -54.13 45.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 45' ' ' ASN . 4.5 p -63.49 -40.0 87.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.297 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.585 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -55.13 -40.84 70.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.036 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' A' ' 32' ' ' ASP . 41.4 mttp -68.1 -41.11 82.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.351 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.604 HD23 HG23 ' A' ' 38' ' ' THR . 6.9 tt -70.54 -49.61 46.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.145 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.604 HG23 HD23 ' A' ' 37' ' ' LEU . 1.6 p -110.62 143.57 40.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.005 178.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -103.4 -56.93 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.053 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 p -83.92 -2.35 56.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 0.0 110.726 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.83 75.59 79.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.343 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -83.74 -61.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.644 2.229 . . . . 0.0 112.298 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -18.06 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.677 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttp -56.71 -26.94 58.04 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.757 ' CB ' HG23 ' A' ' 22' ' ' ILE . 16.3 m120 56.18 23.66 7.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.364 -0.834 . . . . 0.0 112.082 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.504 ' OE1' HD13 ' A' ' 37' ' ' LEU . 16.4 mt-30 66.99 38.03 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.3 mt -38.25 -61.18 0.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -58.26 -52.2 66.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -69.13 -41.62 77.11 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.309 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.0 tt -58.17 -44.65 88.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.477 ' CG ' ' HD3' ' A' ' 18' ' ' LYS . 17.6 m170 -59.4 -50.0 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.599 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -59.16 -45.91 89.76 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.425 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -57.63 -55.88 29.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 tp -54.59 -48.72 71.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.564 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 94.4 m-20 -56.42 -41.85 77.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.391 -179.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -62.45 -31.03 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.909 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -109.96 22.65 15.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.567 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -55.08 -34.79 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.351 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.06 -29.61 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.334 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.2 ptt? -55.42 -34.87 64.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.362 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -63.65 -32.39 73.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 109.69 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -73.12 -21.43 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -74.91 -53.15 9.53 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.257 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.717 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -92.61 -59.55 2.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.339 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 64' ' ' TRP . 6.2 tttp 97.58 -27.41 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.787 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 33.1 p -86.75 130.79 34.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.821 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 70' ' ' ILE . 79.3 tttt -59.87 -50.88 72.05 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -60.47 -43.27 97.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.86 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 55.6 t0 -60.49 -44.73 95.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.118 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.489 ' O ' HD13 ' A' ' 74' ' ' LEU . 47.7 mt -57.76 -46.77 86.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.753 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 71' ' ' LEU . 71.7 mt -55.44 -42.55 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.406 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 31.9 m170 -59.9 -43.7 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.49 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 14.8 mmtm -63.88 -49.24 73.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 70' ' ' ILE . 3.8 mp -57.7 -42.67 84.19 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -56.06 -49.29 74.16 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.257 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 72' ' ' HIS . 67.3 mm-40 -67.91 -40.65 83.37 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ASP . 72.2 tp60 -72.64 -46.09 55.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.158 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.467 ' CD1' HD23 ' A' ' 33' ' ' LEU . 2.2 t90 -54.23 -43.39 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.921 ' OD1' HD21 ' A' ' 33' ' ' LEU . 96.6 m-20 -58.85 -46.23 88.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.063 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -85.74 0.16 53.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' GLN . 48.7 t0 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.107 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -56.7 151.49 47.13 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.687 2.258 . . . . 0.0 111.799 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 5' ' ' SER . 80.6 mt -59.63 -34.74 73.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.302 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 36.48 27.7 0.01 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' LEU . 22.7 m 34.06 38.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 110.792 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.8 OUTLIER -89.77 133.66 34.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.395 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -139.32 117.04 11.51 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.828 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.32 173.47 3.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.027 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -76.44 143.08 40.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -84.22 161.62 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.37 -42.43 63.96 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.079 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.47 -47.7 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.3 -38.97 91.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 109.866 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.448 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.5 t-105 -61.28 -45.56 93.98 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.668 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.605 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 14.8 m-20 -57.85 -38.65 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.278 0.561 . . . . 0.0 110.071 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -63.38 -43.59 97.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.285 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.28 -40.25 93.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG2' HD22 ' A' ' 54' ' ' LEU . 26.5 mttm -57.74 -44.03 85.76 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.677 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 3.5 mp0 -63.82 -40.52 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.741 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' CB ' ' NZ ' ' A' ' 67' ' ' LYS . 51.4 m-20 -62.2 -42.88 99.7 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.815 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.609 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.9 m-30 -64.12 -48.32 76.56 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.69 HG23 ' CB ' ' A' ' 45' ' ' ASN . 64.3 mt -58.77 -50.0 80.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.332 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.401 ' HA ' HD23 ' A' ' 26' ' ' LEU . 66.5 m -53.89 -42.89 69.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.117 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.12 -34.1 86.7 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.503 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 87.2 mt -75.4 -36.8 36.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.726 0.298 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.871 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.23 -26.6 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 110.17 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.576 ' OE1' ' O ' ' A' ' 27' ' ' GLU . 3.3 tm-20 -73.43 -38.34 65.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.712 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.503 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 53.7 p30 -94.54 171.28 8.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.605 0.717 . . . . 0.0 112.157 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -66.26 -21.83 66.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.065 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.492 ' CD ' ' ND2' ' A' ' 28' ' ' ASN . 78.0 mt-30 -52.06 -17.34 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.818 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.541 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.0 ttpt -49.25 -23.05 1.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.724 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 p-10 -60.72 -34.13 73.93 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 78' ' ' TRP . 10.7 mp -51.78 -54.09 32.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.794 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.718 HG23 ' HG3' ' A' ' 46' ' ' GLN . 2.6 p -64.88 -34.8 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . -58.36 -56.91 15.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -60.82 -38.85 86.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.434 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.631 HD13 ' OE1' ' A' ' 46' ' ' GLN . 9.7 tt -68.8 -48.85 62.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.295 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.583 ' OG1' ' O ' ' A' ' 41' ' ' ASP . 37.4 p -86.32 151.33 23.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.001 0.429 . . . . 0.0 110.986 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -100.44 -75.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.36 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.6 m -87.11 1.66 52.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.848 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.583 ' O ' ' OG1' ' A' ' 38' ' ' THR . 0.0 OUTLIER -116.43 103.22 53.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.373 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -82.25 -77.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.419 2.079 . . . . 0.0 113.006 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 45' ' ' ASN . 65.5 mt -75.67 -6.31 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.96 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.501 ' C ' ' O ' ' A' ' 43' ' ' ILE . 4.1 ttt -36.94 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.69 ' CB ' HG23 ' A' ' 22' ' ' ILE . 16.8 m120 61.05 12.24 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.084 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HG3' HG23 ' A' ' 34' ' ' VAL . 20.5 mt-30 64.45 41.88 5.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 8.9 mt -50.76 -56.46 11.95 Favored 'General case' 0 N--CA 1.461 0.111 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -55.14 -48.3 73.88 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.668 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.665 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -68.46 -38.11 80.79 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.593 178.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.491 HD21 ' CZ3' ' A' ' 78' ' ' TRP . 8.0 mt -59.4 -46.58 88.28 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.234 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 93.4 m-70 -57.55 -49.28 76.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -63.8 -52.92 58.04 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.614 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -59.97 -56.34 22.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.492 HD22 ' HG2' ' A' ' 18' ' ' LYS . 12.8 tp -56.9 -50.56 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.001 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 91.7 m-20 -57.35 -40.26 77.69 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.182 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 57.7 ttp180 -63.76 -31.83 73.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.406 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CE1' ' HE ' ' A' ' 56' ' ' ARG . 63.3 m-70 -112.68 20.82 16.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.192 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.647 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.8 ptm180 -53.82 -34.46 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.707 ' OD1' ' N ' ' A' ' 60' ' ' MET . 28.0 p30 -60.33 -28.65 68.31 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.213 0.53 . . . . 0.0 111.074 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.799 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 2.1 ptt? -55.12 -35.92 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.47 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.647 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.3 p -61.82 -34.56 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.996 0.426 . . . . 0.0 110.757 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 76.9 mm-40 -76.01 -18.33 59.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -76.74 -55.25 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.967 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.799 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -83.65 -42.0 17.16 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.141 179.445 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.5 tttm 64.99 41.36 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.942 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' ILE . 11.0 p -150.77 122.82 8.22 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.916 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.539 ' NZ ' ' CB ' ' A' ' 20' ' ' ASP . 32.8 tttp -58.92 -60.26 4.14 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -61.94 -38.14 87.34 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -177.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -63.85 -43.1 97.15 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.195 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 64' ' ' TRP . 92.7 mt -60.55 -41.73 88.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.952 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.609 HD21 ' CD1' ' A' ' 21' ' ' PHE . 50.6 mt -58.12 -40.64 81.76 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.303 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -57.51 -44.56 85.12 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.205 0.526 . . . . 0.0 109.784 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.1 mmtt -62.11 -47.26 85.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.969 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 70' ' ' ILE . 7.0 mp -57.94 -40.88 81.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -56.13 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.878 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -66.6 -40.42 88.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.121 0.486 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.739 ' O ' ' N ' ' A' ' 81' ' ' ASP . 97.8 mt-30 -70.58 -38.41 74.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.269 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.613 ' CD1' HD23 ' A' ' 33' ' ' LEU . 2.0 t-105 -57.11 -43.75 82.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -65.1 -37.76 88.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -98.42 -7.15 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.376 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 77' ' ' GLN . 17.0 t0 . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.276 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -69.11 147.42 67.03 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.872 2.381 . . . . 0.0 112.036 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.8 mt 62.17 -155.04 0.35 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' MET . . . 70.82 33.67 66.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.21 4.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.378 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.48 ' H ' ' C ' ' A' ' 4' ' ' GLY . 3.1 mtp -87.83 -13.2 42.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.152 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.502 ' C ' ' OD1' ' A' ' 7' ' ' ASN . 33.3 p-10 -83.53 179.1 7.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.767 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' HZ3' ' NE ' ' A' ' 58' ' ' ARG . 13.7 mtpt -80.9 -175.67 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.166 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -76.75 150.8 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 111.841 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.0 p -83.47 161.14 21.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.724 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -56.23 -43.53 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.611 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.5 m-20 -63.35 -46.27 87.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.164 0.507 . . . . 0.0 110.464 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.02 -40.83 97.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.594 0.712 . . . . 0.0 109.453 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.505 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -62.16 -45.87 91.49 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.598 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.721 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 42.5 m-20 -55.29 -37.52 67.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.218 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.611 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 6.2 mp0 -64.61 -42.08 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.811 HD11 ' CE1' ' A' ' 21' ' ' PHE . 45.8 tp -62.36 -37.4 85.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.289 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 30.6 mttt -61.49 -48.13 82.49 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.721 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 2.3 mp0 -59.95 -43.75 94.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.914 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -60.99 -44.27 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.811 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -65.98 -47.31 74.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.158 0.504 . . . . 0.0 109.8 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 43' ' ' ILE . 73.3 mt -57.33 -49.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.424 ' HA ' HD23 ' A' ' 26' ' ' LEU . 47.4 t -58.26 -44.08 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.729 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.26 90.12 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.672 HD13 HD21 ' A' ' 28' ' ' ASN . 24.2 mm -70.37 -37.6 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.888 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.77 -26.47 49.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.516 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 23' ' ' SER . 75.5 mm-40 -78.02 -42.94 30.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.215 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.672 HD21 HD13 ' A' ' 25' ' ' ILE . 55.8 p30 -77.46 170.25 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.652 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.14 -29.0 70.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.458 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.643 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -50.81 -15.96 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.389 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.9 pttm -53.65 -40.55 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.032 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 55.7 p30 -66.65 -34.26 77.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.681 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 7.9 tt -63.11 -42.18 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.631 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.576 ' O ' HG22 ' A' ' 38' ' ' THR . 0.3 OUTLIER -77.43 -19.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.001 -179.714 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -58.69 -37.35 75.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.758 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.661 ' NZ ' ' O ' ' A' ' 32' ' ' ASP . 3.1 mptt -65.12 -43.83 90.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.488 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.656 HD13 ' OE1' ' A' ' 46' ' ' GLN . 9.3 tt -66.72 -39.28 87.93 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.768 HG21 ' HA ' ' A' ' 45' ' ' ASN . 3.2 t -115.24 13.01 16.62 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.253 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.665 ' N ' ' O ' ' A' ' 35' ' ' ALA . 29.9 t30 59.26 -147.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.573 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 6.7 p -72.9 156.48 38.82 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 40' ' ' SER . 1.8 m-20 154.29 148.47 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.085 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.14 -92.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.365 2.043 . . . . 0.0 112.076 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.463 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 6.2 pt -93.94 -14.68 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.016 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.455 ' HE2' ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -69.72 91.37 0.62 Allowed 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.768 ' HA ' HG21 ' A' ' 38' ' ' THR . 75.5 m-20 -121.35 79.94 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.38 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.656 ' OE1' HD13 ' A' ' 37' ' ' LEU . 10.6 pt20 47.31 58.32 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.386 0.612 . . . . 0.0 109.753 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' H ' ' HE2' ' A' ' 44' ' ' MET . 77.1 mt -54.35 -46.45 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.29 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.34 -50.72 72.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.791 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.733 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.8 mp -68.52 -40.16 80.9 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.986 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.5 tt -58.24 -44.82 88.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.527 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 30.4 m170 -59.93 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.269 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -61.67 -48.04 82.63 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.041 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -56.72 -52.93 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 tp -56.98 -52.7 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.08 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -55.88 -41.26 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.171 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' NH2' ' NE2' ' A' ' 57' ' ' HIS . 55.8 ttp85 -60.31 -33.41 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.296 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.478 ' NE2' ' NH2' ' A' ' 56' ' ' ARG . 83.4 m-70 -114.84 21.24 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.473 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 13.5 ptm180 -53.31 -34.43 57.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.093 0.473 . . . . 0.0 110.454 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.66 -29.14 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.722 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 5.3 ptt? -59.91 -27.36 66.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.237 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 15.7 p -62.09 -28.58 69.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.81 -11.79 60.49 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.486 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 5.2 mtpm? -85.86 18.45 2.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.722 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.52 -45.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.358 178.659 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt 70.9 -19.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.51 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.526 ' H ' ' C ' ' A' ' 64' ' ' TRP . 97.4 p -89.07 138.41 31.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.646 ' NZ ' HD11 ' A' ' 71' ' ' LEU . 47.2 tttm -66.07 -51.49 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.256 -0.884 . . . . 0.0 113.214 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -60.1 -37.82 81.12 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.927 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 81.1 m-20 -64.31 -47.46 79.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.774 -0.77 . . . . 0.0 109.743 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.519 HG12 ' CD1' ' A' ' 64' ' ' TRP . 88.2 mt -59.82 -43.57 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.361 -0.535 . . . . 0.0 110.871 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' NZ ' ' A' ' 67' ' ' LYS . 73.1 mt -53.81 -42.23 68.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.51 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 7.0 mptt -64.4 -50.88 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.6 mp -57.28 -39.6 76.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.747 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -58.01 -47.09 84.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.07 -41.72 97.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.621 ' O ' ' N ' ' A' ' 81' ' ' ASP . 76.8 mt-30 -68.77 -43.2 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -45.13 77.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.219 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -66.4 -42.76 87.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 81' ' ' ASP . 67.9 mttt -89.17 -4.8 58.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.531 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 77' ' ' GLN . 41.8 p30 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.71 -32.11 89.96 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.251 1.967 . . . . 0.0 110.705 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.94 129.85 45.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.738 178.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.63 -179.94 45.55 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -84.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.906 0.384 . . . . 0.0 111.113 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 50.2 mtt 59.92 27.53 16.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.64 -179.181 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -57.0 134.74 56.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.489 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -80.04 164.15 23.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.743 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -75.38 151.82 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 111.419 -179.114 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.2 p -87.53 160.42 18.24 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.173 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.02 -42.44 72.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.202 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.6 -47.16 82.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 110.599 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.49 -39.24 91.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.027 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.433 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 7.5 t-105 -62.48 -43.8 97.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.741 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -55.43 -43.73 75.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.798 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.1 -39.76 87.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.6 -39.28 91.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.821 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.575 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 30.3 mttt -58.27 -42.11 85.77 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 179.468 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -61.26 -38.44 86.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.1 -46.34 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.103 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.531 ' CE1' HD22 ' A' ' 74' ' ' LEU . 37.4 m-85 -64.07 -46.56 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.879 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.79 HG23 HD22 ' A' ' 45' ' ' ASN . 94.9 mt -57.62 -50.93 75.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.395 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 m -56.76 -38.54 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.188 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.46 -35.49 66.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.436 HD12 HE21 ' A' ' 30' ' ' GLN . 8.7 mm -71.62 -41.09 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.372 -0.414 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.943 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -77.04 -28.1 54.67 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.22 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -79.23 -33.51 43.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.661 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 56.1 t-20 -100.13 156.68 17.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.454 0.645 . . . . 0.0 111.534 -179.084 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.661 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 22.4 tp10 -55.2 -21.18 12.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.555 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.436 HE21 HD12 ' A' ' 25' ' ' ILE . 27.6 mt-30 -48.41 -11.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 34' ' ' VAL . 16.8 pttp -56.78 -34.35 67.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.507 . . . . 0.0 110.186 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.16 -42.93 99.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.391 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' ' 33' ' ' LEU . 5.0 mp -66.9 -37.06 83.66 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.258 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -65.01 -38.0 81.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.111 -179.823 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -63.77 -39.68 94.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -58.15 -42.53 86.12 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.443 -0.503 . . . . 0.0 109.674 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.966 HD22 ' OE1' ' A' ' 46' ' ' GLN . 10.4 tt -71.83 -47.36 53.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.491 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 41' ' ' ASP . 93.4 m -117.11 125.95 52.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.139 179.415 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -96.62 164.37 12.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.077 0.465 . . . . 0.0 111.671 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 t 55.02 22.26 4.3 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.502 178.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.529 ' HB2' HG22 ' A' ' 38' ' ' THR . 6.2 m-20 -137.47 73.69 48.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.29 -35.01 99.15 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.292 1.995 . . . . 0.0 111.956 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 42.7 mt -99.57 -72.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.696 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.4 ttp -40.35 104.84 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.79 HD22 HG23 ' A' ' 22' ' ' ILE . 45.8 m-80 -91.97 59.77 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.136 -178.57 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.966 ' OE1' HD22 ' A' ' 37' ' ' LEU . 19.0 pt20 46.84 65.7 1.16 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.674 0.75 . . . . 0.0 110.148 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 15.2 mt -53.58 -47.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.795 -179.422 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -58.78 -47.36 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.527 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.524 ' HB2' HE21 ' A' ' 46' ' ' GLN . 57.9 mt -69.42 -42.87 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -44.33 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.044 -179.579 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.575 ' CG ' ' HZ2' ' A' ' 18' ' ' LYS . 11.9 m170 -59.23 -48.89 79.92 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -59.95 -45.85 91.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.429 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 43.0 t90 -57.79 -57.49 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 110.641 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ARG . 9.2 tp -56.85 -50.91 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.091 -178.717 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -55.65 -41.87 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.02 -31.2 71.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.575 ' O ' ' SD ' ' A' ' 60' ' ' MET . 97.7 m-70 -116.59 18.99 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.749 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 ptm180 -55.02 -34.64 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.574 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 59.0 t0 -55.61 -26.13 42.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 111.113 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.731 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.8 ptt? -60.39 -32.68 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 62' ' ' GLU . 14.6 p -59.52 -30.24 68.44 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 110.091 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.8 mt-10 -74.94 -13.47 60.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.296 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -85.95 -62.0 1.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.731 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -82.45 -46.63 13.23 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.89 -179.052 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp 67.09 -14.69 0.17 Allowed 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.341 0.4 . . . . 0.0 111.528 -178.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 64' ' ' TRP . 34.5 p -92.39 136.29 33.32 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.752 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -65.76 -56.16 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.13 -36.29 77.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.673 -178.094 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 52.9 t0 -64.7 -50.91 65.09 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.695 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.529 HG12 ' CD1' ' A' ' 64' ' ' TRP . 25.2 mt -59.23 -43.41 89.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.523 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.12 -40.75 74.21 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.675 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -61.71 -45.69 92.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.512 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 18.1 mmmt -61.68 -50.75 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.721 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.531 HD22 ' CE1' ' A' ' 21' ' ' PHE . 6.0 mp -58.65 -38.93 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.582 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.409 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 79.1 m-20 -55.47 -47.13 76.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.43 -40.82 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.66 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -68.61 -44.0 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.552 -179.167 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.12 -42.39 85.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.239 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -68.08 -30.9 70.19 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.156 0.503 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 80' ' ' LYS . 13.8 ttpt -91.9 -6.97 50.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.087 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' GLN . 79.3 m-20 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.584 -179.437 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.48 142.54 23.1 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.574 2.183 . . . . 0.0 111.591 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.4 mt -84.57 139.93 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.098 0.475 . . . . 0.0 110.963 -179.267 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.462 ' O ' ' OD1' ' A' ' 7' ' ' ASN . . . 162.0 154.21 7.43 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -70.05 -1.21 9.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.525 -0.47 . . . . 0.0 109.733 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.37 -1.31 57.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.592 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' A' ' 4' ' ' GLY . 21.8 p-10 -98.03 160.1 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.042 0.449 . . . . 0.0 111.345 -179.464 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -78.59 165.13 24.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.811 179.349 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -76.4 149.13 36.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.439 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -80.21 157.2 26.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.406 -178.595 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -53.36 -43.04 67.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.008 -179.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.64 -45.89 88.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.49 -37.63 85.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.171 179.31 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.592 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 8.1 t-105 -62.33 -45.9 91.13 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.384 179.567 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.741 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 80.2 m-20 -56.66 -39.56 73.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.192 0.52 . . . . 0.0 110.209 179.317 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.592 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 54.1 tp -60.8 -40.56 93.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.651 179.172 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . 27.9 mttt -58.67 -44.18 90.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 110.429 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.741 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER -61.97 -41.78 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.511 -179.619 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -58.9 -42.44 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.02 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 71' ' ' LEU . 4.9 m-30 -66.26 -45.43 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.676 HG23 ' CG ' ' A' ' 45' ' ' ASN . 66.6 mt -57.93 -48.94 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.438 ' HA ' HD23 ' A' ' 26' ' ' LEU . 8.4 t -57.13 -43.09 82.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.435 179.261 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -37.18 92.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.43 ' HA ' HD13 ' A' ' 25' ' ' ILE . 28.1 mm -71.03 -44.52 75.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.208 -0.294 . . . . 0.0 110.208 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.818 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -71.19 -30.18 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.049 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 50.7 tp10 -76.25 -25.2 54.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.119 178.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -103.93 166.79 10.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.81 -26.93 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.03 178.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -53.21 -15.35 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -34.28 66.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -66.67 -42.26 86.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.62 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.3 mp -61.41 -36.76 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.248 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -62.35 -45.71 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.929 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.693 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -63.46 -44.87 93.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.839 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.55 ' O ' ' OD1' ' A' ' 39' ' ' ASN . 16.7 mtpp -61.99 -40.61 96.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.875 179.454 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.715 HD13 ' NE2' ' A' ' 46' ' ' GLN . 6.8 tt -52.26 -44.71 65.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.315 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 40' ' ' SER . 9.7 t -107.33 -0.05 22.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.01 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.693 ' N ' ' O ' ' A' ' 35' ' ' ALA . 19.9 m-20 51.31 32.2 8.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.592 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.512 ' O ' ' C ' ' A' ' 41' ' ' ASP . 70.7 p -179.17 -116.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.34 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' A' ' 40' ' ' SER . 36.8 m-20 -28.82 97.53 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.704 -179.654 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' SER . 88.2 Cg_endo -85.62 -61.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.749 2.3 . . . . 0.0 112.0 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.501 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 12.3 mm -52.52 -35.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.538 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.477 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 13.3 ttt -54.77 -31.12 58.31 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.002 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.676 ' CG ' HG23 ' A' ' 22' ' ' ILE . 2.7 m120 50.44 33.39 7.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.357 179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.715 ' NE2' HD13 ' A' ' 37' ' ' LEU . 26.3 pt20 46.74 58.28 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.767 0.794 . . . . 0.0 109.053 -178.605 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.699 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 5.7 mt -43.12 -53.95 4.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.796 -178.741 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.58 -51.17 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.97 -41.32 91.33 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.828 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -58.59 -44.09 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.771 -179.294 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.699 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 18.6 m170 -58.23 -47.95 81.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.227 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -60.29 -47.84 84.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.01 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -60.07 -52.33 65.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.307 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -56.73 -51.25 69.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 70.2 m-20 -55.16 -42.93 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.401 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -61.86 -28.52 69.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.468 -179.119 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 60' ' ' MET . 46.1 m80 -104.19 15.9 27.39 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.786 0.327 . . . . 0.0 111.658 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.665 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.0 ptm180 -59.89 -35.82 75.65 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.201 -179.745 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.49 -50.67 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.802 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.752 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.1 ptm -62.97 -31.73 72.91 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.327 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.9 p -64.75 -27.89 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.443 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.18 -20.4 64.86 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 60' ' ' MET . 2.3 pttt -81.05 -66.28 0.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.785 -178.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.752 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -69.28 -32.69 72.02 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.289 -178.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp 47.06 -1.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.651 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.682 ' H ' ' C ' ' A' ' 64' ' ' TRP . 8.8 p -86.52 131.74 34.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.728 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.561 ' O ' HD23 ' A' ' 71' ' ' LEU . 34.3 tttm -63.25 -47.68 81.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.373 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -63.18 -41.56 99.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.941 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 69.8 m-20 -62.94 -52.03 64.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.576 HG22 HD13 ' A' ' 74' ' ' LEU . 71.5 mt -62.36 -45.12 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -179.129 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -57.13 -40.35 76.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.143 -179.572 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.614 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 78.2 t60 -61.51 -45.43 94.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.657 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 3.2 mptt -61.11 -47.97 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.717 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 HG22 ' A' ' 70' ' ' ILE . 8.1 mp -56.6 -46.25 80.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.279 179.761 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.677 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 23.1 m-20 -54.21 -47.07 72.53 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.661 -178.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.614 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.6 mp0 -70.4 -38.52 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -69.66 -41.91 74.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.529 ' HZ2' HE21 ' A' ' 46' ' ' GLN . 1.5 t-105 -55.42 -40.24 71.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.294 178.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.677 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 76.9 m-20 -68.02 -44.42 76.52 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 179.469 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -60.89 -30.04 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.188 179.562 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' O ' ' SD ' ' A' ' 6' ' ' MET . 46.3 Cg_endo -72.14 -7.87 21.79 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.89 1.727 . . . . 0.0 111.789 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.624 ' O ' ' O ' ' A' ' 4' ' ' GLY . 81.4 mt -91.14 -5.54 54.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.501 179.516 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.624 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . -26.29 -107.92 0.0 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.945 -179.649 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -78.61 7.14 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.09 0.472 . . . . 0.0 110.298 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.462 ' SD ' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -99.92 -0.88 38.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.287 179.135 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 3' ' ' LEU . 51.8 p-10 -63.21 142.43 58.39 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.174 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -73.4 167.52 21.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.972 -178.589 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -77.96 142.8 38.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.116 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.1 p -84.04 160.48 20.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.822 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -51.13 -43.39 61.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.053 -179.346 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 77.3 m-20 -68.06 -45.04 74.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.08 -38.12 87.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.462 0.649 . . . . 0.0 109.28 178.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.1 t-105 -63.63 -48.01 79.01 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.795 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 94.1 m-20 -55.92 -41.74 75.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -60.89 -42.42 97.95 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.948 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.437 HD11 ' CE1' ' A' ' 21' ' ' PHE . 44.0 tp -58.75 -40.49 83.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.299 179.701 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 21.4 mttm -60.39 -45.09 94.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.795 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 1.9 mp0 -58.65 -43.82 89.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.067 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.09 -42.79 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.47 ' HZ ' HG21 ' A' ' 70' ' ' ILE . 4.4 m-30 -62.4 -50.22 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 109.443 179.319 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.548 HG23 ' OD1' ' A' ' 45' ' ' ASN . 85.5 mt -58.61 -47.46 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.617 179.035 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' GLU . 22.9 t -56.46 -44.51 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.202 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.01 -31.95 79.41 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.952 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.538 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 62.8 mt -73.71 -26.97 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.284 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.044 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -90.14 -27.21 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.213 178.483 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' SER . 45.3 tp10 -74.72 -46.28 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.765 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.33 162.44 22.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.959 0.409 . . . . 0.0 111.249 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.36 -17.89 23.57 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.897 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.482 HE22 ' CG ' ' A' ' 75' ' ' ASN . 92.9 mt-30 -57.43 -18.67 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.932 -178.667 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.0 pttt -52.8 -28.55 23.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.461 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -53.69 -33.08 54.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 111.546 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.18 -38.84 68.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.852 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.7 p -57.85 -40.32 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -64.51 -39.19 93.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -63.5 -40.59 97.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.062 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.804 HD13 ' OE1' ' A' ' 46' ' ' GLN . 8.6 tt -78.33 -53.25 7.5 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.601 ' O ' ' C ' ' A' ' 39' ' ' ASN . 3.0 m -110.17 120.31 42.05 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.919 -178.701 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.601 ' C ' ' O ' ' A' ' 38' ' ' THR . 5.0 m120 13.65 -122.69 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.832 179.297 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.6 p -125.37 46.95 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.07 145.45 53.01 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.01 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 63.2 Cg_endo -81.85 -81.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.7 2.267 . . . . 0.0 114.415 -179.241 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.422 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 36.4 pt -89.85 0.74 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.815 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.603 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 13.2 tpt -43.53 -38.54 2.97 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.202 -179.458 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.659 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.8 OUTLIER 45.23 16.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.295 -179.332 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.804 ' OE1' HD13 ' A' ' 37' ' ' LEU . 45.6 mt-30 59.7 51.36 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.607 179.518 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.705 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 36.8 mt -39.47 -56.02 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -58.42 -51.6 69.15 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.454 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.6 -36.04 75.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.658 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -46.41 90.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.566 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.705 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 81.7 m-70 -57.9 -48.99 78.25 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.784 0.326 . . . . 0.0 110.616 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.24 -50.25 72.49 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -57.26 -54.17 49.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.214 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.47 -51.33 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.587 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 59.6 m-20 -56.46 -39.27 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.635 -179.211 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' HD2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -67.04 -32.11 73.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 -179.677 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.513 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 24.5 m-70 -110.47 18.54 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.365 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.559 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.2 ptm180 -54.73 -34.37 62.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.25 179.496 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.65 -36.25 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.694 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.7 ptt? -55.6 -28.51 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.103 -179.469 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.9 p -60.99 -27.25 68.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.428 -179.506 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.01 -13.18 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.4 mmtt -86.49 17.3 3.9 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.89 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.694 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.11 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.208 179.201 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 51.39 14.43 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.313 -178.292 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' TRP . 55.2 p -89.95 -161.81 0.82 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.426 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 13.4 tttp -132.42 -65.14 0.74 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.616 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 71' ' ' LEU . 95.9 mt-10 -60.9 -38.67 86.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.623 -178.644 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 77.0 m-20 -63.62 -44.68 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.995 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.64 HG22 HD13 ' A' ' 74' ' ' LEU . 71.5 mt -58.34 -40.41 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.778 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 89.1 mt -56.94 -42.27 79.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.758 179.256 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.81 -43.1 98.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 110.149 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 77' ' ' GLN . 17.4 mmmt -63.21 -53.38 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 -179.551 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.64 HD13 HG22 ' A' ' 70' ' ' ILE . 7.9 mp -57.15 -38.58 73.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.606 -179.431 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.482 ' CG ' HE22 ' A' ' 30' ' ' GLN . 9.1 m120 -57.84 -46.17 85.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.217 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -64.45 -40.63 96.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.994 179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.607 ' O ' ' N ' ' A' ' 81' ' ' ASP . 99.3 mm-40 -72.64 -38.83 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.874 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.538 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 3.0 t-105 -53.94 -47.13 71.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.875 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -69.5 -34.59 74.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.992 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -84.97 -7.88 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.936 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 77' ' ' GLN . 88.3 m-20 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.609 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -57.48 16.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.829 2.353 . . . . 0.0 112.738 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.609 ' H ' ' C ' ' A' ' 1' ' ' GLY . 10.8 mp -65.12 -14.04 59.57 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.172 179.238 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -44.52 -19.55 0.15 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.098 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 12.0 m 111.81 -0.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.216 0.598 . . . . 0.0 110.848 179.366 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.74 -36.84 82.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.205 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -72.42 -159.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.078 0.466 . . . . 0.0 111.82 -178.526 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.581 ' HD3' HH12 ' A' ' 58' ' ' ARG . 10.7 mttp -76.16 171.73 14.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.894 -178.546 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -80.1 144.11 33.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.239 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.3 p -84.27 158.54 21.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.438 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.25 -42.2 69.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.054 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -65.72 -42.54 90.95 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.949 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -66.79 -38.07 85.81 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.483 178.694 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 t-105 -62.75 -48.11 80.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.068 -179.737 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 61.5 m-20 -57.93 -38.79 76.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.062 0.458 . . . . 0.0 110.207 179.278 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.07 -43.69 97.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.3 tp -62.96 -36.51 83.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.408 178.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . 25.9 mttt -58.94 -44.64 91.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.467 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.523 ' NE2' ' HB2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.87 -42.47 99.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.92 -179.596 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.13 -41.08 82.87 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.439 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.708 ' CE1' HD22 ' A' ' 74' ' ' LEU . 25.8 m-85 -65.38 -46.82 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.122 0.487 . . . . 0.0 109.791 178.837 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.475 HD12 ' OE1' ' A' ' 19' ' ' GLN . 97.7 mt -58.28 -39.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.7 m -59.01 -46.86 87.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.385 179.148 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.569 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . -65.84 -26.07 72.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.592 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 4.2 mm -72.56 -39.37 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.7 -24.99 23.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.77 -179.866 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -71.38 -37.4 71.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.587 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.697 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.4 p-10 -105.68 175.87 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -59.68 -26.47 65.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.911 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.697 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 35.2 mt-30 -49.96 -16.07 0.25 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.157 -179.625 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.711 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 1.3 pttm -56.38 -33.24 65.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.711 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 96.2 m-20 -68.8 -35.19 76.7 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.195 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.65 -41.53 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.466 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.012 HG23 HE21 ' A' ' 46' ' ' GLN . 4.1 p -70.91 -36.65 64.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.792 178.85 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.74 95.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.997 179.725 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -63.48 -43.31 97.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.117 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.894 HD22 ' OE1' ' A' ' 46' ' ' GLN . 6.4 tt -64.23 -37.29 86.94 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.059 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 34' ' ' VAL . 9.3 t -100.44 33.37 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.067 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m120 53.4 -78.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.915 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.7 p -160.48 38.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.138 -179.784 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.602 ' O ' ' O ' ' A' ' 42' ' ' PRO . 1.5 m-20 -75.32 147.3 82.48 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.481 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.602 ' O ' ' O ' ' A' ' 41' ' ' ASP . 75.0 Cg_exo -46.27 -127.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.925 2.417 . . . . 0.0 112.617 179.614 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 43' ' ' ILE . 22.3 mt -88.69 16.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.497 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 11.4 tpt -46.49 -33.52 4.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.516 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.476 ' CG ' ' O ' ' A' ' 44' ' ' MET . 0.6 OUTLIER 44.56 21.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.109 178.722 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 1.012 HE21 HG23 ' A' ' 34' ' ' VAL . 49.8 mt-30 63.9 42.34 6.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.754 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.628 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 17.7 mt -44.7 -51.49 9.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.461 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -61.02 -57.36 12.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.658 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -67.34 -42.16 84.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.719 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.6 tt -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.628 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 32.8 m170 -57.68 -50.32 73.57 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.13 -48.3 82.3 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.495 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.69 -53.4 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.342 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 21' ' ' PHE . 16.7 tp -57.95 -51.63 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.135 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -56.82 -42.74 80.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.657 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -62.51 -32.09 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 75.3 m-70 -110.77 14.93 22.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.666 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.612 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.5 ptm180 -53.44 -35.32 60.35 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.805 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -29.92 65.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 6.8 ptt? -57.27 -29.1 63.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -178.796 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 27.0 p -62.73 -28.19 69.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.681 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -71.25 -13.02 61.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 64.7 mmtt -86.88 17.78 3.87 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.246 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -175.37 -42.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.08 -0.648 . . . . 0.0 112.197 178.879 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 18.8 tttm 61.15 6.47 1.31 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.786 ' O ' HD12 ' A' ' 70' ' ' ILE . 90.6 p -86.83 161.8 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.745 179.487 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 74.4 tttt -93.69 -66.34 0.93 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.369 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -60.42 -45.29 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.122 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 22.7 t0 -60.05 -45.26 93.45 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.296 -178.288 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 66' ' ' SER . 59.7 mt -58.98 -41.25 82.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 88.9 mt -56.24 -40.95 74.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.361 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -62.58 -45.78 91.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 8.7 mmmm -63.22 -52.99 60.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.358 -179.277 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.708 HD22 ' CE1' ' A' ' 21' ' ' PHE . 8.4 mp -57.27 -41.19 79.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.164 -0.615 . . . . 0.0 110.303 -179.481 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.544 ' HA ' HE22 ' A' ' 30' ' ' GLN . 76.1 m-20 -55.46 -44.65 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.495 ' HG2' ' NZ ' ' A' ' 80' ' ' LYS . 68.8 tt0 -69.2 -38.8 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.052 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -70.56 -37.32 73.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.592 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.8 t90 -58.31 -43.88 88.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.868 179.036 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -65.14 -36.81 85.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.001 -179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.495 ' NZ ' ' HG2' ' A' ' 76' ' ' GLU . 45.0 mttp -78.98 -73.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.19 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.7 t0 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.725 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.256 -1.537 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -75.52 -82.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.854 0 C-N-CA 122.51 2.14 . . . . 0.0 112.739 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.436 ' HG ' HD22 ' A' ' 7' ' ' ASN . 12.3 tp 40.43 49.72 2.65 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.095 -179.454 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 6' ' ' MET . . . -83.76 -164.94 37.71 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.893 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -64.14 -1.6 1.65 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.763 0.316 . . . . 0.0 110.415 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.405 ' H ' ' C ' ' A' ' 4' ' ' GLY . 76.7 mtm -56.97 -34.12 67.75 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.277 0.56 . . . . 0.0 109.584 179.699 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.436 HD22 ' HG ' ' A' ' 3' ' ' LEU . 35.3 m-20 -40.5 138.17 0.99 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.486 -179.512 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -81.67 158.49 24.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.056 -178.729 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -74.42 147.88 41.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.247 0.546 . . . . 0.0 111.667 -179.08 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.0 p -83.12 161.2 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -54.24 -38.41 65.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.58 -49.59 65.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.753 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.704 0.764 . . . . 0.0 109.418 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.522 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.8 t-105 -63.12 -49.72 73.29 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.138 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -55.06 -38.69 68.34 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.462 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.29 -43.79 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.286 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 21' ' ' PHE . 57.6 tp -59.79 -38.68 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.404 179.105 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 27.6 mttt -60.78 -47.78 84.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.951 -179.082 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -60.51 -40.06 90.07 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.218 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -61.75 -44.89 96.03 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -62.42 -45.32 93.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.66 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.74 -50.14 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.219 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -56.93 -38.28 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.819 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.66 -32.6 83.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.704 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 6.6 mm -67.56 -33.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.781 -0.21 . . . . 0.0 110.586 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.832 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -88.09 -20.99 24.95 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.168 179.424 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -72.23 -34.26 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -95.9 146.44 24.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.365 0.603 . . . . 0.0 111.614 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -59.24 -26.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -52.75 -17.47 1.36 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.4 pttp -49.7 -22.32 1.33 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.78 0.8 . . . . 0.0 109.697 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -54.75 -42.05 71.15 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.015 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.58 -52.94 62.33 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.12 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 31' ' ' LYS . 4.6 p -60.88 -28.49 43.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.266 0.555 . . . . 0.0 110.204 -179.303 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 40' ' ' SER . . . -64.31 -46.42 83.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.397 179.482 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -68.43 -38.07 80.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.849 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 37' ' ' LEU . 7.6 tt -59.54 -36.28 75.85 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.384 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.542 ' OG1' ' CG ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -107.26 18.4 21.69 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.036 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.681 ' O ' ' OG ' ' A' ' 40' ' ' SER . 45.9 m-20 61.3 55.99 2.78 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.713 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.681 ' OG ' ' O ' ' A' ' 39' ' ' ASN . 4.1 p 61.54 87.4 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.687 -179.456 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.707 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -105.32 146.97 33.79 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.881 179.329 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.36 -99.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.298 -2.087 0 C-N-CA 122.481 2.121 . . . . 0.0 112.313 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 43' ' ' ILE . 77.0 mt -104.43 -8.75 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.476 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.428 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 13.7 ttt -61.05 -47.53 85.96 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.177 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 51.8 m-80 50.14 50.07 19.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.935 -179.091 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.847 HE21 ' HB2' ' A' ' 49' ' ' LEU . 13.6 pt20 49.65 64.11 1.89 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.905 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 13.6 mt -52.31 -46.96 66.18 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.526 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 6.6 p-10 -59.17 -52.48 65.53 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.088 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.847 ' HB2' HE21 ' A' ' 46' ' ' GLN . 35.8 mt -66.81 -38.26 86.13 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.296 179.677 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.5 OUTLIER -59.3 -46.67 87.92 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.048 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.1 m170 -59.86 -50.13 74.99 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.81 -48.57 81.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.476 ' CZ2' ' NE2' ' A' ' 77' ' ' GLN . 63.0 t90 -57.59 -55.63 32.33 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.108 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.2 tp -56.28 -50.52 71.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -55.13 -45.54 75.57 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.508 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -61.91 -31.07 71.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' A' ' 60' ' ' MET . 22.1 m80 -110.77 14.61 22.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.466 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 14.9 ptm180 -54.41 -34.42 61.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 111.011 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.85 -27.58 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.722 179.461 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.76 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 9.8 ptm -59.11 -29.08 67.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 10.1 p -60.77 -27.3 67.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.288 -179.657 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -75.52 -12.76 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.061 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.5 mttp -86.96 20.84 2.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.76 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.0 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 178.153 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 tttm 62.32 49.47 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.946 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.635 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 27.7 p -147.31 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.198 -178.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 46.1 tttm -99.55 -61.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.802 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -59.23 -41.59 89.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.23 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 23.8 t0 -63.32 -47.93 80.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.455 -179.331 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.635 ' CD1' ' O ' ' A' ' 66' ' ' SER . 42.3 mt -60.65 -40.78 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.296 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.483 HD21 ' CD1' ' A' ' 21' ' ' PHE . 56.1 mt -58.8 -42.32 88.84 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.169 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.37 -44.7 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.731 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 73' ' ' LYS . 1.7 mmmm -60.6 -50.14 74.73 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 70' ' ' ILE . 10.1 mp -54.88 -43.61 73.34 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.086 -179.367 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -57.95 -46.56 84.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.212 -179.381 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.83 -39.49 90.88 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.733 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.476 ' NE2' ' CZ2' ' A' ' 53' ' ' TRP . 16.2 tt0 -71.78 -41.54 68.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.704 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.5 t90 -54.1 -42.94 69.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.499 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -71.2 -43.2 67.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.408 0.623 . . . . 0.0 109.883 179.558 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -62.45 -34.42 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.405 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.832 -178.976 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -51.51 154.13 9.34 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.753 2.302 . . . . 0.0 112.277 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.43 -75.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.019 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -118.73 76.0 0.3 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 4' ' ' GLY . 60.2 p 30.92 52.28 0.14 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.86 0.362 . . . . 0.0 110.521 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.5 mtt -91.45 115.73 28.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.589 ' OD1' ' O ' ' A' ' 7' ' ' ASN . 29.9 p-10 -119.58 146.42 45.52 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.472 179.565 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -89.59 171.24 9.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.199 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.437 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 73.8 m-85 -77.79 144.88 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.86 179.524 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 68.6 p -81.7 159.7 23.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.677 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 92.9 m-20 -53.84 -40.81 66.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.316 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.604 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 75.0 m-20 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.929 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.645 0.735 . . . . 0.0 109.641 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.483 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.2 t-105 -63.29 -46.14 88.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.782 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.744 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 57.4 m-20 -54.41 -39.92 67.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.952 0.406 . . . . 0.0 110.431 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.604 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.6 mp0 -64.33 -42.5 96.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 21' ' ' PHE . 33.2 tp -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.9 178.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.506 ' HZ3' ' HA ' ' A' ' 51' ' ' HIS . 25.9 mttt -60.36 -46.95 88.13 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.873 179.749 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.744 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 1.6 mp0 -59.65 -40.22 86.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.121 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.0 m-30 -62.61 -44.59 95.91 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.725 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.5 mt -57.12 -51.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.516 178.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -56.09 -35.27 66.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.37 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.65 -42.15 97.71 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.441 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 1.2 mp -75.24 -23.95 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -92.04 -26.39 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.229 -179.562 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -31.4 50.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.94 178.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 37.6 p30 -100.59 -177.13 3.4 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.416 0.627 . . . . 0.0 111.828 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.97 -25.65 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.413 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -51.5 -15.33 0.41 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -56.28 -39.82 73.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.989 0.423 . . . . 0.0 110.979 -179.711 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -59.49 -40.18 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.182 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.1 mp -59.69 -39.77 85.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.184 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -64.4 -42.55 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.413 179.058 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.647 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -64.32 -45.57 87.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -59.93 -37.93 80.89 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.717 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.715 HD22 ' CD ' ' A' ' 46' ' ' GLN . 7.9 tt -67.42 -42.49 83.11 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.817 179.043 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.774 HG21 ' HB2' ' A' ' 41' ' ' ASP . 5.2 m -96.07 126.03 41.02 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.894 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -52.51 -41.29 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.682 -179.335 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -128.41 -73.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.038 0.447 . . . . 0.0 110.556 -179.646 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.774 ' HB2' HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER -30.93 95.83 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.105 -179.803 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' SER . 62.8 Cg_endo -87.16 -65.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 123.122 2.548 . . . . 0.0 111.979 179.42 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.717 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 18.8 mm -62.94 -29.73 47.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.102 0.477 . . . . 0.0 110.584 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.448 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 12.5 ttt -51.01 -31.15 17.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.102 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.717 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 69.4 m-80 53.3 28.92 7.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.348 179.39 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.715 ' CD ' HD22 ' A' ' 37' ' ' LEU . 7.6 mt-30 61.34 46.93 7.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.787 179.416 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.549 HD23 ' NE2' ' A' ' 51' ' ' HIS . 5.9 mt -36.51 -54.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.573 -179.033 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 49' ' ' LEU . 46.8 p-10 -61.25 -49.14 78.31 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -177.796 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.562 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 53.7 mt -70.1 -42.25 72.95 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.716 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.695 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -60.52 -45.06 95.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 -179.181 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.549 ' NE2' HD23 ' A' ' 47' ' ' LEU . 17.2 m170 -58.15 -48.77 79.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.45 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.55 -45.9 92.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -56.39 -56.29 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.411 -178.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 65.9 m-20 -57.46 -43.26 83.84 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -62.54 -30.31 71.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.747 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.587 ' O ' ' SD ' ' A' ' 60' ' ' MET . 2.8 m-70 -111.65 19.78 17.75 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.67 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.5 ptm180 -56.23 -33.03 65.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.819 0.342 . . . . 0.0 111.303 178.871 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -53.89 -36.01 62.21 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.5 -178.795 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.589 ' HG3' ' HE1' ' A' ' 64' ' ' TRP . 3.2 ptt? -58.19 -29.09 65.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.373 -178.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.67 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -64.89 -28.36 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.083 0.468 . . . . 0.0 110.892 -179.261 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -69.67 -22.47 63.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.85 -76.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.044 -179.41 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.733 ' O ' ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -82.17 31.97 0.39 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.535 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' TRP . 80.1 tttt -30.76 77.59 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.916 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 64' ' ' TRP . 2.9 p -162.37 113.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.139 179.089 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.8 tttm -47.02 -63.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.76 -39.91 86.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.008 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 61.5 m-20 -65.74 -44.74 85.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.976 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.607 HG22 HD22 ' A' ' 74' ' ' LEU . 80.9 mt -58.11 -45.8 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.968 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 87.8 mt -55.8 -41.45 74.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.707 ' C ' ' HD1' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -64.25 -51.82 61.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.023 179.634 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.466 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 26.1 mmmt -58.2 -51.57 69.19 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.083 -179.416 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD22 HG22 ' A' ' 70' ' ' ILE . 5.6 mp -57.79 -39.83 78.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.866 179.585 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.551 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 83.7 m-20 -57.52 -43.77 84.55 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.415 179.475 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -67.06 -38.54 85.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.31 -42.7 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.933 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.441 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 1.8 t90 -56.51 -40.25 74.69 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.758 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.511 ' OD1' ' CD2' ' A' ' 33' ' ' LEU . 31.6 m-20 -64.54 -39.97 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.723 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 81' ' ' ASP . 18.7 mmtm -84.98 -3.82 58.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.853 179.461 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' A' ' 80' ' ' LYS . 47.2 t0 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.714 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.37 145.69 8.11 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.841 2.361 . . . . 0.0 112.272 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 tt -82.08 138.45 34.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.439 -179.077 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.89 -157.14 7.97 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -78.11 0.18 25.74 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.857 0.36 . . . . 0.0 110.745 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 6' ' ' MET . 0.9 OUTLIER -83.53 124.37 30.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.671 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -130.96 69.94 1.47 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.88 153.48 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.228 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -75.2 152.72 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -85.47 160.81 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.129 179.342 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.05 -39.53 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.15 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -65.4 -46.71 78.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.988 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -64.85 -38.99 92.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.033 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.625 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 7.3 t-105 -62.1 -47.07 86.24 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.451 179.679 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -54.6 -40.3 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.169 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -64.82 -43.63 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.095 179.368 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 21' ' ' PHE . 17.5 tp -65.51 -42.22 92.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.882 178.773 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HD3' HD23 ' A' ' 54' ' ' LEU . 11.9 mtmt -61.9 -43.93 97.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.465 -179.822 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.23 -40.38 97.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.46 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -60.28 -43.88 95.85 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.11 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.71 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -60.89 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.848 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.7 mt -58.97 -46.8 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.424 178.192 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.9 m -56.5 -44.02 80.31 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.18 -31.74 81.85 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.558 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 18.5 mt -71.95 -43.49 68.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.26 -23.31 51.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.194 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -73.85 -38.62 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.089 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.558 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 57.3 p30 -90.42 161.54 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.142 0.496 . . . . 0.0 111.891 -178.835 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.609 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.5 tt0 -63.24 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.637 179.481 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -55.01 -4.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.609 ' H ' ' C ' ' A' ' 29' ' ' GLU . 23.6 pttm -61.14 -28.9 69.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.621 179.413 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -58.38 -36.51 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 33' ' ' LEU . 5.3 mp -62.06 -46.92 87.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.509 -179.244 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 38' ' ' THR . 7.6 p -70.2 -32.33 50.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.178 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.28 88.34 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -61.21 -43.61 98.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.666 178.712 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.767 HD22 ' OE1' ' A' ' 46' ' ' GLN . 7.4 tt -66.92 -38.23 85.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.788 179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 34' ' ' VAL . 41.2 p -66.33 8.04 0.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.892 0.377 . . . . 0.0 110.22 179.628 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.56 ' H ' ' C ' ' A' ' 37' ' ' LEU . 44.2 t-20 72.9 -44.05 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.937 179.698 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.36 9.13 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.648 179.514 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.17 155.14 90.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.603 0.239 . . . . 0.0 110.373 179.716 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -75.83 -89.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.315 2.01 . . . . 0.0 111.844 179.229 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.826 ' O ' ' N ' ' A' ' 45' ' ' ASN . 15.0 mm -79.99 -76.58 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.545 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.531 ' C ' ' O ' ' A' ' 43' ' ' ILE . 0.6 OUTLIER 21.46 -72.1 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.485 0.491 . . . . 0.0 111.108 -179.352 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.826 ' N ' ' O ' ' A' ' 43' ' ' ILE . 31.4 m120 73.57 41.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.216 179.299 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.767 ' OE1' HD22 ' A' ' 37' ' ' LEU . 16.6 pt20 46.4 59.57 3.77 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.844 0.831 . . . . 0.0 110.453 -179.077 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.39 -50.31 65.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.931 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.54 -51.06 71.06 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.722 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.6 -45.18 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.668 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.9 tt -59.21 -40.18 84.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.225 -178.704 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.58 -47.43 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.01 179.645 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -61.64 -46.72 88.56 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.12 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -58.3 -57.18 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.103 0.477 . . . . 0.0 110.39 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.531 HD23 ' HD3' ' A' ' 18' ' ' LYS . 13.4 tp -55.55 -48.96 73.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.209 -179.056 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.625 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 98.5 m-20 -57.84 -44.78 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.811 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -60.06 -29.11 68.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 110.591 -179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 60' ' ' MET . 82.5 m-70 -113.75 20.25 16.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.423 -179.543 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -54.11 -35.48 62.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -58.13 -31.91 67.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.701 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.0 ptt? -59.33 -29.28 67.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -63.67 -28.81 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.043 0.449 . . . . 0.0 110.365 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' HE3' ' A' ' 65' ' ' LYS . 94.4 mt-10 -74.08 -12.39 60.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.997 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.12 -56.3 4.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.642 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -86.19 -30.94 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.537 -179.354 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.408 ' HE3' ' O ' ' A' ' 62' ' ' GLU . 13.1 mmtp 62.97 -11.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.137 -179.181 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 64' ' ' TRP . 5.1 p -96.2 131.0 43.13 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.212 0.53 . . . . 0.0 111.614 -179.467 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -65.98 -53.72 35.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -60.87 -38.12 84.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.581 -0.448 . . . . 0.0 112.046 -177.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.27 -44.39 95.25 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.432 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.576 ' O ' HD13 ' A' ' 74' ' ' LEU . 69.2 mt -58.3 -45.77 89.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.176 -179.642 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 71' ' ' LEU . 67.0 mt -55.78 -39.61 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.698 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.08 -46.54 89.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.9 mmmt -60.13 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.909 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 70' ' ' ILE . 9.0 mp -57.8 -45.5 85.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.203 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -53.84 -45.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.69 -179.51 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -71.08 -40.32 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.005 -179.562 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -70.71 -36.31 73.18 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.577 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 5.4 t-105 -51.1 -31.64 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.753 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.11 -10.58 60.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.062 0.458 . . . . 0.0 109.948 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -84.49 -12.07 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.854 179.413 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.577 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 42.0 p30 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.412 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.14 142.17 96.93 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.56 2.173 . . . . 0.0 111.527 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.941 ' H ' HD22 ' A' ' 3' ' ' LEU . 1.7 mm? -68.22 149.25 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.152 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.88 -163.84 31.81 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.48 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -74.91 0.86 14.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.142 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -3.48 57.42 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.242 178.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.72 146.11 50.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.823 179.379 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -89.85 171.7 9.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.816 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -75.99 144.83 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.617 -179.303 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 14' ' ' TRP . 44.2 p -79.56 162.58 25.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -57.17 -40.53 77.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.371 179.465 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.59 -46.6 85.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.91 -40.08 87.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.682 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.434 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 9.2 t-105 -62.79 -49.0 76.7 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.221 179.537 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.717 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 17.9 m-20 -56.18 -39.56 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.463 179.297 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -62.38 -43.9 97.72 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 21' ' ' PHE . 65.2 tp -60.54 -38.04 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.592 179.173 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.566 ' NZ ' ' CG ' ' A' ' 51' ' ' HIS . 30.4 mttt -58.5 -44.2 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.854 179.58 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.717 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -57.48 -43.89 84.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.849 -179.865 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.61 -44.92 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.4 m-30 -62.89 -47.67 82.31 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.317 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.797 HG23 ' CG ' ' A' ' 45' ' ' ASN . 59.8 mt -58.22 -51.14 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.607 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 28.9 t -55.98 -41.9 75.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.83 -40.28 94.92 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.83 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 21' ' ' PHE . 16.7 mm -72.11 -39.98 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.625 -179.691 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.872 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -74.43 -29.15 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.354 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 23' ' ' SER . 91.5 mt-10 -73.5 -34.67 65.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 179.834 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -89.31 146.7 24.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -55.75 -24.88 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.144 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -48.88 -17.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.732 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -51.78 -25.31 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.403 -178.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -54.39 -30.59 52.64 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.274 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.614 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.896 179.487 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' O ' ' A' ' 43' ' ' ILE . 1.4 t -63.41 -42.16 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.171 0.51 . . . . 0.0 109.808 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.39 98.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.049 -179.305 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -68.54 -40.38 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.616 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 37' ' ' LEU . 7.5 tt -62.27 -36.43 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.407 -178.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.587 ' O ' ' C ' ' A' ' 39' ' ' ASN . 99.7 m -106.59 108.36 19.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.138 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' A' ' 38' ' ' THR . 58.6 m-20 12.75 -133.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.431 179.832 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 m -97.41 21.56 9.97 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.961 -179.305 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.47 152.35 89.77 Favored Pre-proline 0 C--N 1.331 -0.217 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.741 -179.565 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.6 -85.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 123.011 2.474 . . . . 0.0 111.837 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.63 ' C ' ' H ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -101.49 -77.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.402 -179.796 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER 64.59 -33.9 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.512 -179.937 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.797 ' CG ' HG23 ' A' ' 22' ' ' ILE . 31.7 m120 59.41 3.91 0.44 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.233 179.541 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 14.7 mt-30 63.36 41.81 7.35 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.102 179.096 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 44' ' ' MET . 77.6 mt -38.3 -58.64 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -177.735 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.66 -51.75 68.26 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.877 -177.854 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.7 mm? -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.372 179.501 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.5 tt -58.09 -44.91 87.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 -178.62 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CG ' ' NZ ' ' A' ' 18' ' ' LYS . 30.9 m170 -61.58 -46.18 90.95 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.098 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -61.01 -50.54 72.95 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -56.08 -55.33 34.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.562 0.696 . . . . 0.0 109.598 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.4 -53.67 54.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.113 -179.817 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -54.52 -39.67 67.85 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -65.9 -32.34 73.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.341 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' MET . 63.5 m80 -110.17 13.88 23.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.758 -179.211 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.9 ptm180 -50.26 -33.82 21.07 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -58.1 -28.74 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.862 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.92 -29.41 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.281 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.1 p -63.18 -29.95 71.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.899 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' HG2' ' SG ' ' A' ' 61' ' ' CYS . 73.4 mm-40 -76.54 -12.53 60.04 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.352 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 76.2 mttt -83.98 20.38 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.49 -43.58 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.94 178.501 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 13.0 tttp 72.86 -15.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.424 179.72 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 64' ' ' TRP . 5.1 p -89.14 126.79 35.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.447 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -59.18 -50.38 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -58.96 -40.62 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -176.692 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 72.4 m-20 -65.89 -45.1 83.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.303 0.573 . . . . 0.0 110.239 179.641 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.526 HG12 ' CD1' ' A' ' 64' ' ' TRP . 79.1 mt -57.19 -47.69 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.722 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 71' ' ' LEU . 86.5 mt -59.28 -41.01 87.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.705 -179.4 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -57.85 -42.02 83.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.017 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 4.4 mptp? -64.94 -49.64 69.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.316 179.006 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.15 -39.89 79.94 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.298 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.87 -49.29 75.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -38.65 90.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.037 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 98.4 mm-40 -68.77 -40.52 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.111 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.82 -42.9 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 0.0 109.913 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.66 -42.51 97.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.553 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -87.34 -1.03 57.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.705 179.853 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 80' ' ' LYS . 60.9 t0 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.461 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.512 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 61.7 Cg_exo -47.88 138.96 20.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.888 2.392 . . . . 0.0 112.298 -179.743 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 4' ' ' GLY . 17.5 tp -153.67 -115.12 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.853 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 26.19 -141.5 0.01 OUTLIER Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.756 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 m -89.42 17.5 6.17 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.737 0.303 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 54.7 mtt -68.96 103.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.712 -179.538 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -173.04 130.33 0.48 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.237 179.763 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -87.27 171.91 10.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.165 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -77.34 145.83 37.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.811 179.372 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p -82.45 162.63 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.978 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -55.51 -42.99 75.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.029 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.716 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 89.2 m-20 -62.05 -46.78 87.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.315 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.87 -41.81 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.538 0.685 . . . . 0.0 109.482 179.036 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.552 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 4.2 t-105 -62.73 -47.23 84.47 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.709 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -54.43 -39.48 67.41 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.869 -0.333 . . . . 0.0 111.321 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.716 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -65.59 -41.98 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.969 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.552 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 19.2 tp -60.69 -35.36 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.942 179.005 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.532 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 29.3 mttt -61.68 -48.19 81.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.331 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.85 -39.06 87.72 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.748 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.2 -43.65 92.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.977 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 54' ' ' LEU . 5.9 m-30 -68.32 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.165 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.422 ' CD1' HD22 ' A' ' 47' ' ' LEU . 96.8 mt -58.85 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.607 178.659 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -56.12 -45.99 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.668 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.08 -33.34 74.11 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.631 HG21 HG21 ' A' ' 34' ' ' VAL . 18.9 mm -71.86 -37.9 63.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 O-C-N 122.624 -0.339 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.36 -33.08 37.55 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.154 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 76.9 mm-40 -72.46 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.561 179.172 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.2 p30 -95.02 167.03 11.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.33 0.586 . . . . 0.0 111.477 -179.57 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.1 tt0 -56.07 -30.3 61.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.289 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' OE1' ' CB ' ' A' ' 75' ' ' ASN . 10.4 mt-30 -50.69 -6.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.147 -178.394 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' GLU . 11.4 ttmm -57.01 -42.84 81.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -63.02 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 33' ' ' LEU . 26.7 tp -60.96 -42.98 99.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.293 0.568 . . . . 0.0 110.403 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG11 HD21 ' A' ' 45' ' ' ASN . 0.5 OUTLIER -67.35 -38.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.337 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -62.66 -40.66 97.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.325 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -58.41 -46.59 86.13 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.243 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.837 HD13 ' OE1' ' A' ' 46' ' ' GLN . 9.1 tt -58.48 -40.62 83.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.28 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.637 ' O ' ' N ' ' A' ' 40' ' ' SER . 28.5 m -112.07 108.75 18.15 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.68 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' A' ' 38' ' ' THR . 99.3 m-20 26.25 -86.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.097 179.19 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.637 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.2 m -172.62 41.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.873 -179.652 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.84 153.01 60.34 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.552 -179.083 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.516 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 85.9 Cg_endo -80.88 -68.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 123.245 2.63 . . . . 0.0 112.679 179.335 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.516 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 77.3 mt -90.97 -72.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.498 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.582 ' O ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -56.42 100.69 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.244 -179.854 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.666 HD21 HG11 ' A' ' 34' ' ' VAL . 55.1 m-20 -137.41 103.17 4.99 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.99 -179.737 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.837 ' OE1' HD13 ' A' ' 37' ' ' LEU . 4.8 pt20 47.57 41.06 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.32 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 22' ' ' ILE . 44.5 mt -56.19 -43.36 78.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.43 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.03 -45.89 86.2 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.417 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.524 ' HB2' HE21 ' A' ' 46' ' ' GLN . 30.8 mt -65.62 -38.63 89.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.477 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.9 tt -58.15 -44.81 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.215 -179.691 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.532 ' ND1' ' HD3' ' A' ' 18' ' ' LYS . 25.5 m-70 -57.5 -47.72 81.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.229 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -62.95 -47.97 80.9 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -56.15 -51.92 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.428 0.633 . . . . 0.0 109.329 179.352 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 21' ' ' PHE . 17.3 tp -58.99 -53.15 61.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.078 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -54.97 -41.1 70.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 58.9 ttp180 -65.2 -32.09 73.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.469 ' CE1' ' HE ' ' A' ' 56' ' ' ARG . 3.2 m-70 -109.04 16.72 22.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.294 -179.316 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.666 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.4 ptm180 -53.6 -33.77 56.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.843 0.354 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.56 -31.74 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.491 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.69 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.9 ptt? -57.74 -27.79 63.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -179.044 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 21.5 p -60.91 -28.74 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.978 0.418 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -75.03 -15.42 60.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.996 -179.188 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -85.11 17.15 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.531 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.69 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -28.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.775 178.44 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 mttm 52.29 14.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.328 0.585 . . . . 0.0 109.549 -179.256 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 82.6 p -92.44 157.82 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.241 179.051 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' O ' HD23 ' A' ' 71' ' ' LEU . 23.8 tttt -99.42 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 0.0 111.259 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HG2' ' H ' ' A' ' 68' ' ' GLU . 2.4 pt-20 -59.02 -38.79 80.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.79 -178.319 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.485 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 74.9 m-20 -62.71 -42.12 99.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.25 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 66' ' ' SER . 73.1 mt -59.96 -42.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.761 179.282 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -53.14 -42.15 65.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.634 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -58.87 -42.42 89.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.803 178.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.8 mmmt -63.26 -52.84 60.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.8 mp -57.55 -38.97 75.62 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.178 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.408 ' CB ' ' OE1' ' A' ' 30' ' ' GLN . 95.0 m-20 -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.479 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.17 -38.75 88.83 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.628 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.06 -40.41 75.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.888 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.435 ' CZ2' HG23 ' A' ' 34' ' ' VAL . 2.2 t-105 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -63.96 -46.17 85.89 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -58.95 -31.96 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.28 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.49 179.684 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -53.98 154.39 17.69 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.747 2.298 . . . . 0.0 112.497 179.672 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pp -86.98 142.08 28.21 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.51 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.93 -164.8 35.65 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -75.48 114.49 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.094 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 ptp -177.24 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.81 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -81.63 -176.18 5.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.11 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -71.71 169.65 15.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.089 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -72.98 155.24 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.339 -179.61 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.6 p -84.25 159.79 20.9 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.101 -179.445 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -54.29 -41.46 68.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.174 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.534 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 55.6 m-20 -64.93 -47.16 78.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.583 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.1 -40.28 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.1 t-105 -60.17 -43.23 96.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.621 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 89.6 m-20 -54.95 -40.28 69.81 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.578 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -62.37 -44.78 95.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.773 179.701 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 18.1 tp -60.65 -39.37 88.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.386 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 23.8 mttm -60.75 -47.94 84.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.621 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -59.74 -40.5 88.31 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.609 -179.488 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.26 -47.0 88.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.371 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 70' ' ' ILE . 4.6 m-30 -62.75 -47.28 84.23 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.402 . . . . 0.0 110.315 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.593 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.7 mt -57.48 -47.99 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.197 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.1 m -56.74 -41.4 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.69 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.0 65.47 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.634 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 31.8 mm -67.27 -35.82 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 117.435 0.618 . . . . 0.0 110.043 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -83.02 -20.72 34.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.907 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -71.82 -36.19 70.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.636 179.141 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.634 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.1 p-10 -93.94 153.75 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.758 179.23 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.67 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.556 -178.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -49.56 -21.32 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.974 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -52.85 -22.27 5.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.636 -179.167 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 49.2 t0 -59.72 -36.27 76.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.822 179.245 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 33' ' ' LEU . 6.8 mp -65.39 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.05 179.039 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -63.85 -44.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.345 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.639 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -61.36 -39.97 92.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.134 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 18.4 mttp -63.92 -48.5 76.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.268 178.71 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -46.76 -52.32 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.07 -179.883 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.667 ' CG2' ' O ' ' A' ' 40' ' ' SER . 4.9 t -104.46 3.74 32.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.338 -179.264 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.639 ' N ' ' O ' ' A' ' 35' ' ' ALA . 12.3 t30 61.8 31.4 18.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.571 179.454 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.667 ' O ' ' CG2' ' A' ' 38' ' ' THR . 1.5 t 154.42 -168.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.476 179.613 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.644 ' N ' ' OG ' ' A' ' 40' ' ' SER . 1.1 m-20 45.06 64.5 7.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -178.583 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.715 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 8.3 Cg_exo -67.22 -63.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.302 -1.878 0 C-N-CA 122.471 2.114 . . . . 0.0 111.796 -178.364 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.74 -40.05 67.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.418 -179.834 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.423 ' HG2' HD12 ' A' ' 47' ' ' LEU . 10.7 ttp -52.81 -27.79 19.73 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.992 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.715 ' ND2' ' O ' ' A' ' 42' ' ' PRO . 6.8 m120 53.87 31.06 12.52 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.008 179.086 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.624 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 55.99 47.28 20.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.79 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 46' ' ' GLN . 3.4 mt -31.9 -53.89 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -178.61 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -59.25 -52.88 63.75 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.31 -41.54 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.848 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.4 tt -57.47 -43.23 83.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.035 -178.605 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 19.2 m170 -59.04 -47.82 83.84 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.403 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -58.62 -46.96 85.94 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.197 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.421 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 52.3 t90 -57.94 -52.5 65.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.608 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.09 -50.76 68.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.718 -179.462 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -56.61 -43.27 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.834 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.85 -32.35 70.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' MET . 71.0 m-70 -118.21 23.84 11.34 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.673 -179.327 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.1 ptm180 -54.5 -34.95 62.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.119 0.485 . . . . 0.0 111.043 179.354 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.82 -32.3 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.171 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.5 ptt? -57.73 -27.77 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.664 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.3 p -60.29 -28.31 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.969 -178.829 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.27 -12.17 60.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -178.606 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 20.5 mtpp -86.66 21.71 2.11 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.23 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.67 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.66 178.679 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 16.4 tttp 67.15 -28.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.58 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.674 ' H ' ' C ' ' A' ' 64' ' ' TRP . 18.1 p -83.09 130.98 35.17 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.661 179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -67.28 -38.76 85.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.276 -179.143 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -59.61 -39.78 85.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.923 -178.724 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.567 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 42.7 t0 -64.18 -50.08 69.55 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.818 178.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.682 HG22 HD22 ' A' ' 74' ' ' LEU . 90.4 mt -57.88 -42.63 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.149 -179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.539 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 42.0 mt -56.87 -42.81 80.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -63.94 -50.4 68.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.057 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.567 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -59.0 -50.14 75.23 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.698 179.431 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.682 HD22 HG22 ' A' ' 70' ' ' ILE . 5.7 mp -59.18 -38.12 79.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.408 179.645 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.539 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 69.6 m-20 -55.36 -46.67 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.543 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.5 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 86.4 mt-10 -68.53 -39.96 80.96 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' ASP . 81.5 mt-30 -68.54 -40.8 80.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.73 179.248 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.23 -43.01 70.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.958 179.54 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -68.89 -35.98 77.52 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 76' ' ' GLU . 28.3 mtmm -84.85 -6.18 59.34 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.144 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' GLN . 65.1 t0 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.859 -1.067 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.49 -4.12 14.33 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.778 2.319 . . . . 0.0 112.287 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.622 ' HG ' ' H ' ' A' ' 5' ' ' SER . 17.0 tp 63.78 -94.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.784 -179.764 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.721 ' O ' ' N ' ' A' ' 6' ' ' MET . . . 65.66 35.19 90.76 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.715 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.622 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 37.96 17.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.121 0.486 . . . . 0.0 109.85 -179.107 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.721 ' N ' ' O ' ' A' ' 4' ' ' GLY . 52.0 ttp -90.35 122.89 33.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.948 -179.611 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.537 ' OD1' ' O ' ' A' ' 6' ' ' MET . 1.1 m120 166.34 -176.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.324 0.583 . . . . 0.0 111.386 179.721 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -80.85 171.76 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.989 179.809 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -77.43 140.6 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.0 p -85.04 167.23 16.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -53.64 -41.01 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.077 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.59 -45.95 77.57 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.012 0.434 . . . . 0.0 110.046 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.05 -40.34 94.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 0.0 109.62 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.554 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 6.3 t-105 -64.2 -47.07 81.17 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.281 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -54.42 -39.49 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.331 0.586 . . . . 0.0 110.125 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -64.32 -42.59 96.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 17.9 tp -60.71 -39.56 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.868 179.395 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 29.4 mttt -59.53 -45.14 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.08 179.751 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -59.2 -42.61 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.697 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.74 -43.51 98.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.227 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE2' HD21 ' A' ' 74' ' ' LEU . 3.3 m-30 -63.18 -46.87 85.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.112 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.76 -48.3 86.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.497 178.346 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.8 t -56.41 -43.69 79.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.29 92.93 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.443 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 19.4 mm -71.08 -39.41 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.902 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.67 -24.69 38.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.983 179.493 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 27' ' ' GLU . 8.2 tm-20 -71.42 -38.65 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.345 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 30' ' ' GLN . 48.2 p30 -88.9 159.84 17.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.153 0.501 . . . . 0.0 111.377 -179.519 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 31' ' ' LYS . 86.5 tt0 -62.36 -30.23 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.542 179.439 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.482 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 87.9 mt-30 -55.81 -3.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.177 -179.671 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 34' ' ' VAL . 58.4 pttt -56.94 -29.56 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.978 0.418 . . . . 0.0 109.984 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -57.58 -38.75 75.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.8 mt -56.59 -46.5 80.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.744 -178.766 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.825 ' O ' HG22 ' A' ' 38' ' ' THR . 3.9 p -73.71 -37.23 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.071 -179.426 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 39' ' ' ASN . . . -56.76 -42.94 80.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.628 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -60.55 -47.26 86.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.036 178.839 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD22 ' NE2' ' A' ' 46' ' ' GLN . 8.4 tt -58.59 -46.69 86.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.288 179.63 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 34' ' ' VAL . 2.8 t -90.67 19.67 5.24 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.28 179.387 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 38' ' ' THR . 5.3 m-20 84.81 -76.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.65 ' O ' ' OG ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -174.48 60.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.25 0.548 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' OD1' ' OG1' ' A' ' 38' ' ' THR . 3.5 m-20 -90.93 148.47 38.21 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.169 179.486 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -64.12 -80.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.444 2.096 . . . . 0.0 111.403 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.785 ' O ' ' N ' ' A' ' 45' ' ' ASN . 56.7 mt -94.07 -80.71 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.477 179.283 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.543 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.6 ttt 20.58 -74.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.671 0.607 . . . . 0.0 110.986 -179.816 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.785 ' N ' ' O ' ' A' ' 43' ' ' ILE . 13.4 m120 64.33 46.58 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.026 179.828 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.705 ' NE2' HD22 ' A' ' 37' ' ' LEU . 45.6 mt-30 67.14 39.54 3.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.129 179.431 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 46' ' ' GLN . 9.4 mt -37.93 -55.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.41 -57.4 12.92 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.197 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.5 mp -67.33 -40.42 85.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.433 -179.831 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.1 tt -58.32 -43.05 88.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.671 -179.551 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.479 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 30.2 m170 -58.23 -49.75 75.97 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.312 -179.878 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.33 -47.85 84.0 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.446 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -55.79 -56.42 20.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.909 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 18' ' ' LYS . 25.3 tp -55.95 -50.87 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.467 -179.306 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.092 -178.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -62.54 -32.79 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.248 0.547 . . . . 0.0 110.68 -179.613 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -111.03 18.09 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.972 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.8 ptm180 -52.08 -32.38 34.59 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.034 0.445 . . . . 0.0 110.347 179.302 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' A' ' 60' ' ' MET . 39.4 p30 -54.44 -26.36 30.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.241 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.743 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 11.4 ptp -54.36 -37.46 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.279 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.5 p -66.47 -29.07 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.588 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.19 -24.35 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.952 179.438 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -80.19 -53.44 6.67 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.575 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -95.56 -25.86 16.01 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.835 -179.77 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 18.0 tttp 55.56 -2.51 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.183 0.516 . . . . 0.0 110.072 -179.29 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.627 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.4 p -82.16 166.17 19.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.161 0.505 . . . . 0.0 111.918 -179.264 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -104.47 -72.25 0.71 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.856 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.81 -37.97 86.4 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.544 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 98.0 m-20 -62.0 -43.53 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.727 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.627 ' CD1' ' O ' ' A' ' 66' ' ' SER . 27.2 mt -60.44 -43.25 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.32 -40.9 71.71 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.791 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -59.72 -43.02 94.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.413 0.625 . . . . 0.0 109.768 179.549 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -61.18 -51.49 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.59 179.749 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD21 ' CE2' ' A' ' 21' ' ' PHE . 7.9 mp -55.75 -38.72 70.2 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.77 -46.36 74.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.404 -0.518 . . . . 0.0 109.911 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.82 -40.16 83.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.3 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 81' ' ' ASP . 84.6 mm-40 -70.16 -40.68 74.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 0.0 110.123 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.548 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 1.7 t-105 -55.92 -42.68 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.744 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -71.45 -34.41 70.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.483 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.502 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 4.9 ttmm -84.36 -12.52 54.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.548 ' OXT' ' O ' ' A' ' 78' ' ' TRP . 9.5 m-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.446 -179.843 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -62.78 148.22 93.69 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.895 2.397 . . . . 0.0 112.425 -179.675 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 3' ' ' LEU . 1.4 pt? -153.06 -23.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.249 179.664 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.94 15.47 10.0 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.556 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.53 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER 41.84 33.43 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.541 0.21 . . . . 0.0 111.347 179.673 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 14.4 ptp -79.75 122.24 26.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.051 0.453 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 6' ' ' MET . 2.7 p30 164.31 -172.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.152 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -80.09 169.79 17.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.713 -179.634 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -75.99 144.71 40.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -82.0 160.17 23.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.793 -179.19 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -54.18 -43.34 70.59 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.011 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.483 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 86.0 m-20 -67.24 -44.81 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.782 179.68 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.692 . . . . 0.0 109.303 179.198 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 6.7 t-105 -62.23 -46.43 88.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.189 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -54.98 -40.7 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 8.1 mp0 -63.17 -44.06 96.53 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.827 HD11 ' CE1' ' A' ' 21' ' ' PHE . 55.5 tp -58.78 -39.29 80.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.001 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 22' ' ' ILE . 29.5 mttt -59.17 -45.54 90.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.279 179.618 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -59.83 -42.35 93.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.497 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -60.75 -43.06 98.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.8 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.827 ' CE1' HD11 ' A' ' 17' ' ' LEU . 6.4 m-30 -66.53 -43.91 83.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.308 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.71 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.5 mt -57.71 -50.34 77.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.17 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -57.89 -42.72 85.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.49 -34.48 89.55 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.81 -42.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.039 -179.852 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -75.9 -28.15 57.97 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.368 0.604 . . . . 0.0 109.583 178.877 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 22.9 tp10 -74.09 -25.25 59.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.097 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -97.84 160.44 14.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 0.0 111.548 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -60.15 -30.65 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.356 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -55.49 -8.99 0.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.257 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 10.7 pttm -55.5 -39.89 71.05 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.379 0.609 . . . . 0.0 109.599 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 87.9 m-20 -58.3 -44.35 88.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.222 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.69 -48.05 78.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.642 -179.258 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.662 HG21 ' HA ' ' A' ' 45' ' ' ASN . 2.7 p -65.55 -34.21 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.035 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.26 79.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.353 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 39' ' ' ASN . 17.8 mttt -67.23 -46.21 74.47 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.32 179.518 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.97 -42.75 63.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.401 -179.586 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.2 p -81.45 -1.45 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.815 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.681 ' O ' ' CB ' ' A' ' 40' ' ' SER . 25.6 t30 51.65 35.35 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.661 -179.22 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.681 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 51.6 p 127.68 106.76 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.299 0.999 . . . . 0.0 109.917 -179.531 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.641 ' CG ' ' O ' ' A' ' 40' ' ' SER . 20.0 m-20 140.89 70.51 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 O-C-N 123.554 0.534 . . . . 0.0 109.576 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.626 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 12.2 Cg_exo -64.23 -56.66 0.42 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.918 1.746 . . . . 0.0 112.211 -179.661 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.56 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.5 mt -57.51 -42.43 80.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.317 -178.844 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttt -49.58 -34.82 18.77 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.593 -178.58 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.71 ' OD1' HG23 ' A' ' 22' ' ' ILE . 1.5 m120 58.42 22.83 9.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.523 179.692 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.646 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 62.05 41.72 10.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.272 -179.735 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD21 HD11 ' A' ' 22' ' ' ILE . 4.5 mt -38.19 -58.52 0.97 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.881 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -56.67 -51.21 69.64 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.218 -177.871 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 mp -68.99 -33.49 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.493 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -57.86 -46.34 84.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.858 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -59.12 -45.03 91.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.96 -53.24 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.919 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -60.44 -51.58 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.004 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.14 -52.74 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.743 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -55.51 -41.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.439 -179.388 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -61.41 -32.93 72.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.339 -179.627 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.8 m-70 -113.27 19.58 16.93 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.578 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.3 ptm180 -53.08 -34.43 56.55 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.379 0.609 . . . . 0.0 110.41 179.007 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -55.91 -34.56 65.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.266 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.775 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptt? -55.58 -28.25 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.393 -178.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.0 p -61.81 -28.99 69.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.697 0.284 . . . . 0.0 111.764 -178.627 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.38 -12.48 60.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.067 -179.27 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 45.7 mtpt -86.7 16.24 4.93 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.775 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.42 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.018 0.437 . . . . 0.0 110.064 178.001 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mttm 51.69 2.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.329 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.637 ' H ' ' C ' ' A' ' 64' ' ' TRP . 13.1 p -88.59 163.6 15.77 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.702 178.584 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -96.1 -63.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -178.064 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.06 -35.17 79.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.792 -177.793 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 77.5 m-20 -65.69 -45.68 81.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.989 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 66' ' ' SER . 55.5 mt -60.69 -39.77 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 71' ' ' LEU . 78.4 mt -57.8 -39.67 78.1 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.646 179.495 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.24 -46.49 90.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.432 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.9 mmtt -61.55 -53.62 53.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.556 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -57.79 -36.99 72.93 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.366 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -58.92 -43.42 91.12 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.778 179.742 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -63.72 -39.78 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.611 ' O ' ' N ' ' A' ' 81' ' ' ASP . 73.8 mt-30 -73.89 -36.17 64.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.29 0.567 . . . . 0.0 110.304 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.52 ' CZ2' ' OE1' ' A' ' 46' ' ' GLN . 3.9 t-105 -54.38 -45.65 72.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.692 179.823 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -74.75 -34.4 62.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.411 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -91.22 -73.25 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 77' ' ' GLN . 28.5 t70 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.865 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -64.95 143.86 80.7 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 123.157 2.571 . . . . 0.0 112.827 -179.704 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.7 mt -140.23 -115.17 0.14 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.977 0.417 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.76 -133.93 34.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 p -85.59 4.85 34.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.563 0.22 . . . . 0.0 111.234 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 54.9 mtt -71.35 146.09 49.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.171 0.51 . . . . 0.0 112.23 -178.318 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 6' ' ' MET . 2.1 t-20 87.34 143.52 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.877 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.19 164.69 18.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.565 -179.148 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -75.72 155.61 35.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -86.19 158.53 19.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.536 -179.623 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -52.86 -38.64 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.774 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.9 m-20 -65.5 -49.7 68.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.326 0.584 . . . . 0.0 110.491 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.14 -35.39 80.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.034 179.006 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.462 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 6.8 t-105 -63.56 -45.66 89.49 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -56.35 -38.44 71.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.48 0.657 . . . . 0.0 109.812 179.36 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.731 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.86 -42.07 99.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.07 -38.13 85.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.813 178.829 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 31.0 mttt -61.3 -44.95 96.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 179.596 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.71 -41.87 91.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.038 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -63.14 -41.35 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.165 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -66.96 -44.17 81.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.667 HG23 ' CG ' ' A' ' 45' ' ' ASN . 93.3 mt -57.65 -51.89 64.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.568 ' HA ' HD23 ' A' ' 26' ' ' LEU . 50.1 m -53.79 -34.76 60.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.071 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.4 -35.69 82.56 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.3 mm -73.31 -32.68 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.21 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.862 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.39 -28.1 25.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.76 179.793 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 48.3 tp10 -75.16 -33.39 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.692 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -97.42 164.85 12.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.249 179.355 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -61.06 -19.99 62.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.297 179.575 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -47.99 -16.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.268 -178.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 9.9 pttm -58.88 -33.53 70.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.634 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 94.8 m-20 -64.72 -41.0 96.3 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.103 179.196 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.46 HD13 ' OD1' ' A' ' 79' ' ' ASN . 54.0 mt -60.39 -36.44 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.501 179.598 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -62.34 -49.51 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.018 -179.88 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.605 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -62.76 -38.84 92.15 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.014 -179.693 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -63.62 -46.38 85.99 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.447 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 37' ' ' LEU . 9.6 tt -63.35 -39.03 93.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.786 179.429 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.605 ' O ' ' O ' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -95.55 170.1 9.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.595 179.872 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 39' ' ' ASN . 30.9 p30 -95.25 -157.21 0.56 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.305 -179.424 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.568 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 1.4 m -41.3 97.3 0.01 OUTLIER 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.947 -179.733 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.568 ' CG ' ' O ' ' A' ' 40' ' ' SER . 11.0 m-20 -175.86 139.0 0.53 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.513 179.896 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.453 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 58.5 Cg_endo -74.34 -82.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.088 1.859 . . . . 0.0 111.513 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.648 ' C ' ' H ' ' A' ' 45' ' ' ASN . 38.7 mm -92.87 -85.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.9 179.282 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.512 ' HE1' ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 62.97 -33.53 0.11 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.771 0.32 . . . . 0.0 110.85 179.332 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.667 ' CG ' HG23 ' A' ' 22' ' ' ILE . 1.3 m-80 50.14 16.4 0.25 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.672 179.874 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.512 ' HA ' ' HE1' ' A' ' 44' ' ' MET . 19.0 mt-30 60.53 45.02 11.11 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.333 178.874 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 1.8 mt -43.19 -53.84 4.83 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.93 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.76 -54.78 42.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.27 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.602 ' H ' HD12 ' A' ' 49' ' ' LEU . 4.7 mp -68.28 -40.69 81.75 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.787 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.4 tt -59.64 -44.79 93.37 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -58.19 -50.68 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.628 -179.444 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -61.36 -45.37 94.68 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.955 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.479 ' CZ3' ' HG ' ' A' ' 74' ' ' LEU . 51.2 t90 -56.77 -55.26 36.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.592 0.711 . . . . 0.0 109.73 179.36 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.47 -49.56 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.525 -179.465 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -56.3 -42.04 76.92 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.98 -179.815 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 57' ' ' HIS . 23.7 ttp-105 -62.12 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.024 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.515 ' O ' ' SD ' ' A' ' 60' ' ' MET . 34.1 m-70 -114.89 19.18 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.996 -178.482 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 15.1 ptm180 -53.46 -34.43 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 111.493 179.839 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.43 -32.04 64.49 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.587 -179.077 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 8.6 ptt? -57.84 -29.99 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 p -60.19 -30.0 69.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -178.779 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -75.67 -13.91 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.074 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.1 -59.68 2.26 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.716 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -79.71 -37.74 34.96 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.647 -179.381 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.7 tttm 60.39 -16.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.631 ' H ' ' C ' ' A' ' 64' ' ' TRP . 11.1 p -92.66 129.97 38.43 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.224 179.355 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.783 -178.55 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.34 -38.95 91.49 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 84.2 m-20 -64.33 -44.6 91.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.298 -179.088 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 64' ' ' TRP . 56.4 mt -60.0 -44.97 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.627 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 75.5 mt -55.18 -40.22 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.4 -179.767 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.82 -44.55 93.96 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.724 179.148 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.579 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 3.1 mptp? -65.55 -49.44 68.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.479 ' HG ' ' CZ3' ' A' ' 53' ' ' TRP . 6.7 mp -58.81 -36.19 74.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.783 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.473 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 68.2 m-20 -56.57 -47.86 78.62 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.328 179.004 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -70.35 -41.2 73.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.368 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.579 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 3.7 mp0 -70.11 -44.29 69.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.992 -179.45 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 2.0 t-105 -54.97 -42.4 72.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.351 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.46 ' OD1' HD13 ' A' ' 33' ' ' LEU . 79.3 m-20 -68.82 -37.16 79.01 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.017 0.437 . . . . 0.0 110.23 179.17 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -81.88 -7.27 59.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.321 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' GLN . 20.8 t70 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.393 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -60.74 146.61 97.02 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.64 2.227 . . . . 0.0 112.101 -179.86 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.05 -10.69 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.246 0.546 . . . . 0.0 109.599 179.361 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.53 21.37 72.57 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 7' ' ' ASN . 78.1 p 49.93 21.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.97 12.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 -179.242 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 5' ' ' SER . 20.9 p-10 -59.34 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.005 179.752 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -91.93 158.91 16.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 179.404 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -77.11 149.08 35.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.909 0.385 . . . . 0.0 110.948 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.8 p -83.1 160.86 21.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.659 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -52.95 -43.16 66.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -178.724 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.74 -42.94 81.03 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.814 -179.733 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.6 -40.3 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.412 0.625 . . . . 0.0 109.578 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.473 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 5.1 t-105 -63.15 -46.49 86.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.66 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 26.2 m-20 -56.31 -38.43 71.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 179.505 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -63.64 -43.72 95.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 21' ' ' PHE . 57.0 tp -62.0 -38.51 88.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.912 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.549 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . 26.5 mttt -59.91 -45.36 92.79 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.622 179.787 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.66 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -60.66 -41.99 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.661 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.46 -43.82 96.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -64.46 -46.89 81.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.931 179.325 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.8 mt -57.77 -46.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.29 178.852 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -55.75 -44.95 78.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.294 179.554 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.99 86.01 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.461 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 5.3 mm -72.58 -35.01 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.433 -179.41 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.27 -25.49 23.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.103 0.478 . . . . 0.0 111.15 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -72.85 -37.34 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.486 179.135 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.496 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 48.4 p30 -84.79 157.54 20.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.541 . . . . 0.0 111.618 -179.413 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.92 -23.76 67.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.679 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -61.01 -11.88 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.377 -178.852 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 1.028 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -52.21 -23.96 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.808 -179.319 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 51.2 t0 -57.45 -38.8 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.401 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' H ' HD12 ' A' ' 33' ' ' LEU . 4.9 mp -60.16 -39.37 86.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.376 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.028 HG12 ' O ' ' A' ' 31' ' ' LYS . 3.8 p -66.45 -33.95 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.987 -179.694 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.67 90.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.086 0.469 . . . . 0.0 109.844 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -52.29 -43.43 64.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.425 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.647 HD13 HE21 ' A' ' 46' ' ' GLN . 3.9 tt -64.19 -55.44 21.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.697 179.914 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.647 ' O ' ' O ' ' A' ' 39' ' ' ASN . 35.2 m -125.24 118.85 26.9 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.346 -179.451 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.647 ' O ' ' O ' ' A' ' 38' ' ' THR . 81.4 m-20 11.62 -136.89 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.056 179.294 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.516 ' O ' ' C ' ' A' ' 41' ' ' ASP . 46.9 m -85.45 15.41 4.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.813 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' A' ' 45' ' ' ASN . 13.1 t0 -30.4 95.62 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.59 -179.756 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.479 ' N ' ' O ' ' A' ' 40' ' ' SER . 61.2 Cg_endo -82.9 -58.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.09 1.86 . . . . 0.0 111.475 179.223 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.588 ' C ' HD22 ' A' ' 45' ' ' ASN . 14.2 pt -107.18 -17.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.068 -179.783 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -62.97 -31.65 72.81 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.509 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.645 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 4.4 m-80 30.22 38.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.21 179.434 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.647 HE21 HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 56.96 55.11 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 179.324 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' MET . 68.6 mt -42.25 -50.95 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.383 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -59.4 -57.59 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.163 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.99 -40.99 95.77 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.367 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.4 tt -58.69 -43.69 90.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 -178.919 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -60.63 -47.61 85.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.316 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -58.77 -48.15 82.22 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.783 179.784 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -56.94 -57.46 12.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' ARG . 10.3 tp -57.64 -51.8 68.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.14 -178.606 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.28 -43.58 71.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -178.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -64.74 -31.44 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 179.439 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.409 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 84.4 m-70 -107.55 15.53 24.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.324 -179.604 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.673 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -55.4 -34.13 64.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 110.914 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.03 -32.67 66.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.397 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptm -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.33 -179.482 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.673 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.3 p -62.35 -27.43 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.757 -178.179 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -71.88 -12.88 61.48 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.472 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.63 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.2 mmtt -84.88 19.15 2.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.766 0.317 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -166.84 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 111.117 178.983 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 tttm 59.78 -1.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.516 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 64' ' ' TRP . 70.6 p -85.88 -149.02 0.13 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.24 178.549 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -139.79 -61.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.358 -0.537 . . . . 0.0 112.152 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.8 -36.11 78.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.922 -178.033 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 67.4 m-20 -63.02 -49.47 74.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 -179.363 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.764 HG22 HD13 ' A' ' 74' ' ' LEU . 30.0 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.555 -179.322 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 71' ' ' LEU . 92.2 mt -53.83 -41.26 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.807 179.344 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -58.93 -44.74 91.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.182 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.536 ' HA ' ' HZ3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -64.9 -51.41 62.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.747 -179.514 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.764 HD13 HG22 ' A' ' 70' ' ' ILE . 7.6 mp -59.21 -36.44 75.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -56.54 -50.57 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.294 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -64.36 -38.55 91.42 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.919 179.646 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.602 ' O ' ' N ' ' A' ' 81' ' ' ASP . 9.0 tp-100 -70.42 -41.85 72.4 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.391 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -54.62 -39.62 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -68.27 -40.54 81.82 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.402 178.8 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 81' ' ' ASP . 10.5 mtmt -89.39 -1.05 57.92 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 77' ' ' GLN . 18.1 t70 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.408 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.675 ' O ' ' N ' ' A' ' 4' ' ' GLY . 29.8 Cg_exo -55.93 145.74 72.01 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.042 2.495 . . . . 0.0 112.118 -179.834 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.1 tp 56.02 -73.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 104.67 176.82 24.89 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.998 179.358 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 m -81.92 25.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.045 0.45 . . . . 0.0 110.299 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.646 ' O ' ' O ' ' A' ' 7' ' ' ASN . 60.4 mtt -50.72 -40.85 55.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.974 179.61 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' O ' ' A' ' 6' ' ' MET . 9.4 t-20 36.54 108.1 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.983 178.938 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 9.1 mtpm? -68.43 172.85 5.5 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.713 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -77.71 140.2 39.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 112.036 -178.61 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 p -86.91 162.64 17.6 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.451 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.16 -41.76 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.477 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 75.9 m-20 -63.01 -44.73 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.276 179.62 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -67.0 -38.58 86.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.406 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.499 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -60.91 -47.51 86.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.69 179.529 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -54.66 -40.36 68.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.522 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.671 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -65.2 -44.55 88.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.732 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 tp -60.03 -41.17 91.64 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.8 mttt -57.44 -46.49 83.52 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.458 179.535 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -58.74 -41.14 85.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.67 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.72 -45.71 88.99 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 109.898 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -64.92 -46.74 80.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.179 -179.876 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 18' ' ' LYS . 80.7 mt -58.8 -46.01 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.606 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -56.76 -45.53 82.01 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.038 179.62 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.97 81.0 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.727 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.488 ' HB ' ' ND2' ' A' ' 45' ' ' ASN . 31.9 mm -70.71 -40.71 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 121.344 -0.142 . . . . 0.0 111.295 -179.769 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.858 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -82.51 -30.15 30.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 109.945 179.548 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.58 ' OE1' ' OD1' ' A' ' 28' ' ' ASN . 8.2 tm-20 -74.03 -45.48 49.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.632 179.522 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.58 ' OD1' ' OE1' ' A' ' 27' ' ' GLU . 88.6 m-20 -86.88 160.28 18.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.582 0.706 . . . . 0.0 111.808 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 31' ' ' LYS . 81.6 tt0 -59.26 -26.08 64.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.334 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -49.44 -8.71 0.03 OUTLIER 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 109.808 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.861 ' O ' HG12 ' A' ' 34' ' ' VAL . 78.0 tttt -55.99 -39.41 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.313 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.41 -32.55 71.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.149 0.5 . . . . 0.0 110.196 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -67.93 -43.12 79.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.793 -179.517 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 31' ' ' LYS . 7.6 p -62.12 -33.27 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.632 179.745 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.5 73.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.389 178.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -60.52 -38.52 84.65 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.111 178.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.747 HD22 ' OE1' ' A' ' 46' ' ' GLN . 7.7 tt -56.37 -36.98 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.417 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 m -124.95 -85.85 0.63 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.091 0.472 . . . . 0.0 110.179 179.293 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -178.38 -121.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.382 179.56 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -73.62 108.32 6.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.196 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.687 ' OD2' ' N ' ' A' ' 45' ' ' ASN . 7.1 t0 -152.4 113.23 2.83 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.005 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.449 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 78.6 Cg_endo -87.06 -66.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.711 2.274 . . . . 0.0 112.215 178.194 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.449 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 72.2 mt -108.36 -31.08 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.886 -179.153 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.504 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 26.7 ttt -50.43 -37.43 37.96 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.322 -178.531 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.687 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 11.6 m-20 45.13 43.62 7.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.295 179.4 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.747 ' OE1' HD22 ' A' ' 37' ' ' LEU . 14.9 pt20 51.12 53.52 12.83 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.138 0.494 . . . . 0.0 110.886 -179.334 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.7 mt -46.06 -52.15 12.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.024 -179.668 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -57.25 -53.89 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.56 -178.406 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB2' HE21 ' A' ' 46' ' ' GLN . 22.7 mt -65.15 -40.55 94.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.037 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.1 tt -58.2 -45.1 88.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.866 -178.82 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.8 m170 -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.777 179.82 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -61.17 -49.99 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -57.98 -55.79 30.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.516 0.674 . . . . 0.0 110.966 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.4 tp -54.96 -50.38 69.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.118 -178.509 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.77 -43.89 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.833 -179.261 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.77 -31.9 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.583 ' O ' ' CG ' ' A' ' 60' ' ' MET . 97.8 m-70 -109.43 14.39 23.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.648 -178.689 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.551 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.672 0.272 . . . . 0.0 111.283 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 61.4 t0 -60.03 -31.7 70.2 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.5 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.0 ppp? -56.51 -26.79 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.0 p -62.36 -28.28 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.205 -179.521 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.4 mt-10 -75.16 -13.07 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.517 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.2 mmtp -85.63 24.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.021 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.717 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.56 -34.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.039 177.349 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mttm 54.54 6.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.304 0.573 . . . . 0.0 110.038 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.605 ' O ' HD12 ' A' ' 70' ' ' ILE . 24.5 p -91.42 176.8 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.784 179.056 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -111.18 -63.34 1.42 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.56 -37.56 81.7 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.754 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.457 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 15.8 t0 -63.02 -45.28 93.11 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 66' ' ' SER . 89.8 mt -59.6 -45.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.772 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.71 -40.76 66.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.203 0.525 . . . . 0.0 109.973 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.54 -46.67 88.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 12.8 mmtt -59.09 -52.55 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.655 -179.362 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 70' ' ' ILE . 6.7 mp -57.64 -39.0 76.01 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.866 -179.484 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -56.3 -47.25 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.188 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.57 -39.94 95.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.467 . . . . 0.0 110.523 179.152 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 81' ' ' ASP . 3.0 mm-40 -74.13 -36.32 64.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.366 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.509 ' HZ2' HG23 ' A' ' 34' ' ' VAL . 4.1 t-105 -56.31 -38.64 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.231 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -60.12 -40.43 89.68 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.0 -179.661 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -94.39 -7.08 42.63 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.778 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' OD1' HD11 ' A' ' 37' ' ' LEU . 25.1 t70 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.77 -75.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 122.937 2.425 . . . . 0.0 111.502 179.863 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 3' ' ' LEU . 37.8 mt -96.1 142.6 28.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.78 179.439 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.9 -158.61 7.89 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.609 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -68.79 -2.97 10.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.205 0.526 . . . . 0.0 109.622 179.604 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 6' ' ' MET . 5.6 mmt -60.02 -33.4 71.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.601 179.577 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -100.18 154.57 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -72.2 -177.24 2.04 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.15 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.7 145.15 29.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.247 0.546 . . . . 0.0 111.674 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.4 p -85.64 162.62 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.602 179.373 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.31 -38.8 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.35 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.599 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 93.9 m-20 -64.53 -46.54 82.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.638 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 71.3 mm-40 -65.28 -38.32 89.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.824 178.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.426 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 3.4 t-105 -62.76 -47.87 81.66 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.461 -179.534 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.743 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 86.9 m-20 -55.54 -41.63 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.599 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -64.89 -42.07 95.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.27 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.86 -38.15 78.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 28.6 mttt -60.03 -44.1 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.275 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.743 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 2.8 mp0 -61.36 -43.16 99.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.164 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -60.69 -38.57 85.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -70.47 -50.53 37.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.117 0.484 . . . . 0.0 110.11 179.452 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.2 mt -57.53 -43.19 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.025 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.6 -43.07 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.413 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.06 -30.98 74.98 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.079 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 25' ' ' ILE . 40.6 mm -71.99 -47.95 52.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.845 0.355 . . . . 0.0 110.128 179.4 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.851 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.88 -30.13 62.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.221 179.37 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 5.2 tm-20 -72.67 -38.81 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.586 179.837 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -86.16 150.05 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' LYS . 54.9 tp10 -54.54 -29.64 51.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.265 179.503 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.07 -7.85 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.625 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.9 pttm -53.68 -37.5 63.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.178 -179.492 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.36 -32.93 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.22 0.533 . . . . 0.0 109.816 178.195 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.86 -47.65 84.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' OE1' ' A' ' 46' ' ' GLN . 9.9 p -67.94 -28.17 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.968 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.707 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -61.62 -41.07 96.94 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.212 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.7 -43.76 97.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.774 179.228 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -64.22 -39.9 94.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.049 179.472 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.555 HG22 ' OD2' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -105.95 11.67 31.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.512 -179.65 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.707 ' N ' ' O ' ' A' ' 35' ' ' ALA . 63.4 t-20 58.44 -97.56 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.369 -179.125 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 34.1 t -110.15 125.75 53.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.182 179.816 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.555 ' OD2' HG22 ' A' ' 38' ' ' THR . 6.5 m-20 -172.54 134.07 0.74 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.411 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 58.8 Cg_endo -74.97 -87.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.386 2.058 . . . . 0.0 112.455 179.447 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' A' ' 44' ' ' MET . 67.2 mt -97.55 -27.87 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.761 179.765 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -37.24 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.271 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.584 ' HB3' HG21 ' A' ' 34' ' ' VAL . 25.3 m120 60.48 48.54 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.464 178.274 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.719 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER 60.52 45.35 10.76 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.594 0.559 . . . . 0.0 112.273 179.072 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 83.4 mt -48.81 -48.35 41.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.05 179.526 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.76 -52.68 64.68 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.076 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 49' ' ' LEU . 93.0 mt -65.48 -40.31 92.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.963 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -59.22 -43.04 92.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 -179.012 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 21.4 m170 -58.76 -49.44 77.64 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.287 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -61.3 -47.8 84.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.026 -179.694 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -55.48 -54.17 47.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.898 0.856 . . . . 0.0 110.081 179.42 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 tp -55.39 -48.38 74.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.778 -179.031 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -56.72 -40.94 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.052 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 56' ' ' ARG . 43.6 ttt85 -63.59 -29.89 71.08 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' MET . 93.2 m-70 -107.4 17.63 22.55 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.309 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.632 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 ptm180 -55.93 -35.05 66.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.476 -179.663 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -53.74 -28.26 33.25 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.739 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.6 ptm -54.65 -34.7 62.57 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.504 179.268 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.632 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.8 p -68.2 -31.42 70.94 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.798 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.15 -28.08 65.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -84.06 -82.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.342 179.097 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.727 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.1 OUTLIER -91.86 52.95 2.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.12 179.24 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 61' ' ' CYS . 1.7 pttm -45.97 9.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -179.26 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.724 ' O ' HD12 ' A' ' 70' ' ' ILE . 3.1 p -75.55 165.24 25.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.099 0.476 . . . . 0.0 110.943 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttm -91.62 -68.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.431 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -62.83 -38.63 91.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.907 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 52.9 m-20 -61.57 -45.12 95.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.156 -179.561 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 66' ' ' SER . 61.0 mt -61.02 -42.48 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.423 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 22.0 mt -55.02 -39.48 69.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.954 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -62.09 -46.17 90.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.176 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.48 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 23.9 mmtm -59.64 -52.95 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.618 HD13 HG22 ' A' ' 70' ' ' ILE . 6.4 mp -54.49 -40.88 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.158 -179.273 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -55.14 -44.64 75.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.38 -42.02 93.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.838 0.352 . . . . 0.0 111.433 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 81' ' ' ASP . 35.4 tt0 -73.27 -31.72 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.297 178.746 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -56.82 -41.48 77.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.34 -41.45 89.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.539 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.611 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 48.4 tttp -61.38 -40.52 94.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.304 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.611 ' OXT' ' O ' ' A' ' 80' ' ' LYS . 1.8 t70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.101 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -59.83 148.3 88.91 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.526 2.151 . . . . 0.0 111.591 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.752 HD12 ' N ' ' A' ' 3' ' ' LEU . 3.1 mp -87.4 143.06 27.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.067 0.461 . . . . 0.0 111.244 -179.331 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 6' ' ' MET . . . -158.46 30.0 0.46 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.493 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 14.1 t 38.6 28.47 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.912 0.386 . . . . 0.0 110.417 -179.814 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 4' ' ' GLY . 9.1 ptt? -106.99 19.52 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.858 -179.634 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -95.8 -153.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 0.0 111.476 -179.114 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HD3' ' NH1' ' A' ' 58' ' ' ARG . 31.7 mttt -63.34 177.96 0.59 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.544 -179.903 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -80.64 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.385 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.7 p -84.94 161.78 19.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.704 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 15' ' ' ASN . 90.3 m-20 -54.51 -43.4 71.84 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.729 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 86.7 m-20 -62.7 -48.03 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.13 -38.57 91.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.321 0.581 . . . . 0.0 109.924 179.288 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.2 t-105 -61.43 -45.8 92.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.763 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.715 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 26.8 m120 -57.4 -41.07 79.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.33 -179.839 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.729 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -62.56 -42.65 99.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.843 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.638 HD11 ' CE1' ' A' ' 21' ' ' PHE . 49.3 tp -61.01 -38.41 85.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.028 179.25 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.529 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . 19.1 mttm -60.23 -46.74 88.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.307 179.209 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.715 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -60.89 -43.23 98.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.829 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.92 -42.65 94.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.638 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.9 m-30 -68.15 -48.09 66.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.447 0.642 . . . . 0.0 110.254 179.606 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.586 HG23 ' CB ' ' A' ' 45' ' ' ASN . 87.9 mt -58.42 -50.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.555 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 16.9 m -56.16 -39.34 72.18 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.467 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.43 -31.61 81.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.0 mm -69.94 -35.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.855 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -90.4 -24.98 20.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.017 -179.785 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 23' ' ' SER . 71.6 mm-40 -77.29 -37.08 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.097 0.475 . . . . 0.0 109.827 178.112 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -90.85 165.02 13.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.825 179.731 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.11 -24.72 56.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.386 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.662 ' HA ' HD13 ' A' ' 33' ' ' LEU . 7.0 mp0 -49.67 -16.97 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -179.338 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 34' ' ' VAL . 31.2 pttt -55.77 -38.49 69.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.742 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 71.2 m-20 -63.75 -37.81 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 30' ' ' GLN . 10.2 mp -61.33 -43.68 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -179.118 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.618 HG23 HE21 ' A' ' 46' ' ' GLN . 14.3 p -75.7 -26.84 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.31 91.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -57.53 -36.35 71.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.459 -179.667 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.553 HD13 ' OE1' ' A' ' 46' ' ' GLN . 8.8 tt -64.86 -37.61 88.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 0.0 110.416 179.775 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 34' ' ' VAL . 4.5 p -94.12 161.99 14.05 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.82 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -83.12 -89.42 0.09 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.996 0.427 . . . . 0.0 111.074 -179.382 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.0 t -98.6 -16.88 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.663 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.34 118.8 4.03 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.58 -65.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.363 2.042 . . . . 0.0 112.565 -178.972 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.787 ' O ' ' N ' ' A' ' 45' ' ' ASN . 95.4 mt -89.86 -79.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.407 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.478 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 14.3 tpt 42.02 -64.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 179.47 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.787 ' N ' ' O ' ' A' ' 43' ' ' ILE . 28.9 m120 66.36 17.87 10.77 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.753 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.618 HE21 HG23 ' A' ' 34' ' ' VAL . 46.9 mt-30 65.6 38.25 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.472 -179.487 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 26.1 mt -39.23 -53.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.344 -179.831 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.0 -59.36 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.341 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.16 -39.22 78.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 50' ' ' LEU . 3.0 tt -58.8 -43.42 90.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.6 m-70 -57.58 -47.47 82.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -59.84 -47.36 86.03 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.269 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -58.17 -56.11 26.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.689 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.69 -49.45 72.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.179 -178.427 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.66 -45.25 89.79 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.148 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 56' ' ' ARG . 12.5 ttm180 -65.08 -32.47 74.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.581 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -109.61 16.95 21.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.051 -179.344 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.66 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.8 ptm180 -51.68 -33.35 33.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.553 179.827 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -54.61 -34.33 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.587 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.67 -30.15 65.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.274 -179.123 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -62.28 -28.41 69.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.927 -179.392 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -74.5 -12.7 60.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.518 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.524 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 2.6 mtmt -84.06 22.29 1.21 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.633 0.254 . . . . 0.0 111.218 -178.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.068 178.319 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 75.5 -18.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.81 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.8 p -88.36 141.67 28.35 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.558 179.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 59.1 tttm -62.14 -53.4 55.98 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.381 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.97 -38.46 86.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -177.349 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 97.4 m-20 -62.63 -50.08 72.65 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.803 -179.276 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.646 HG22 HD13 ' A' ' 74' ' ' LEU . 28.3 mt -56.72 -46.29 83.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.656 -179.238 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 71' ' ' LEU . 61.5 mt -57.78 -42.53 84.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.394 -178.713 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.557 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 84.7 t60 -58.94 -45.09 91.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.998 0.428 . . . . 0.0 110.56 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 18.5 mmtt -63.14 -51.18 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.455 -179.777 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 70' ' ' ILE . 7.2 mp -58.45 -37.99 76.57 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.841 179.773 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 69.7 m-20 -53.94 -51.93 62.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.452 -179.472 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.9 mp0 -67.97 -35.8 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.789 179.268 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.33 -41.74 76.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.011 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.4 t-105 -57.2 -42.74 81.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.438 178.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 75' ' ' ASN . 4.2 m-20 -61.84 -38.36 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.136 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -83.25 -1.64 53.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.599 179.239 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 65.3 t0 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.647 ' C ' ' H ' ' A' ' 4' ' ' GLY . 36.6 Cg_endo -72.62 -4.61 15.63 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.645 2.23 . . . . 0.0 111.889 179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 tp 65.46 -21.02 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.486 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.647 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . 57.15 -129.4 49.41 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 18.78 19.49 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.751 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 17.8 mmt -57.1 124.03 17.3 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.206 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -171.31 56.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.523 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -72.99 178.04 4.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.288 -179.727 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -76.39 153.75 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.6 p -85.73 158.72 19.96 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.39 -40.32 68.07 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.143 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -65.99 -47.27 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -63.94 -39.08 93.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.391 0.615 . . . . 0.0 109.649 179.13 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -63.11 -47.31 83.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.398 179.747 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.758 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 19.8 m-20 -57.8 -38.5 75.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.016 178.663 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -62.22 -44.03 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.025 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.665 HD11 ' CE1' ' A' ' 21' ' ' PHE . 54.9 tp -61.47 -39.33 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.62 179.397 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' O ' HG13 ' A' ' 22' ' ' ILE . 25.3 mttt -59.87 -46.64 88.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.676 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.758 ' NE2' ' O ' ' A' ' 15' ' ' ASN . 1.5 mp0 -60.29 -41.35 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.722 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.03 -45.49 93.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 -179.628 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.665 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.0 m-30 -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.955 -179.908 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.423 HD12 ' OE1' ' A' ' 19' ' ' GLN . 91.9 mt -57.99 -49.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.995 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 m -56.04 -38.66 70.87 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.11 -33.95 81.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.765 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.582 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 17.3 mm -71.23 -46.82 63.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.761 0.315 . . . . 0.0 110.685 179.683 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -69.49 -26.05 64.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 109.388 179.263 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -74.41 -29.29 61.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.325 178.596 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.582 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 52.5 p30 -109.34 154.57 22.34 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 112.188 -179.234 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -63.8 -20.97 66.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.661 179.261 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.533 HE22 ' CG ' ' A' ' 75' ' ' ASN . 97.5 mt-30 -47.94 -23.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -178.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -49.13 -21.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.235 0.54 . . . . 0.0 110.511 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.12 -40.22 73.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.403 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 33' ' ' LEU . 6.6 mp -61.22 -35.67 77.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.689 -179.528 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -66.3 -37.5 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.867 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.641 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -62.43 -38.99 91.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.953 179.539 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -60.22 -44.29 95.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.246 0.546 . . . . 0.0 109.539 179.307 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 37' ' ' LEU . 9.4 tt -71.81 -37.66 70.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.537 -179.824 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.641 ' O ' ' O ' ' A' ' 35' ' ' ALA . 21.9 m -114.17 143.77 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 112.167 -178.916 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -38.55 -29.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.443 178.872 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.701 ' OG ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER 179.64 -95.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.591 179.06 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.701 ' N ' ' OG ' ' A' ' 40' ' ' SER . 2.6 m-20 51.24 84.78 0.2 Allowed Pre-proline 0 N--CA 1.463 0.198 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.398 -179.759 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -74.56 -54.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.299 -2.045 0 C-N-CA 121.964 1.776 . . . . 0.0 112.654 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.671 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 81.1 mt -87.91 -28.33 5.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.398 -178.332 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.489 ' SD ' ' OD2' ' A' ' 41' ' ' ASP . 22.7 ttt -59.65 -37.29 78.29 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.957 179.48 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.671 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 48.9 m-80 54.67 37.25 27.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 9.0 pt20 49.56 47.92 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.716 0.769 . . . . 0.0 110.022 -178.844 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' A' ' 51' ' ' HIS . 3.6 mt -42.16 -48.62 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.202 -179.666 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -56.82 -52.25 65.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.601 -177.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.661 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.3 mm? -69.99 -38.54 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.355 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -44.87 91.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 -178.699 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.483 ' NE2' ' CD2' ' A' ' 47' ' ' LEU . 12.1 m170 -60.78 -51.18 70.45 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.016 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.34 -45.34 93.79 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.443 -179.776 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -56.55 -57.74 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.784 179.422 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.85 -49.49 73.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 -179.339 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.78 -41.16 73.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -65.34 -32.27 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.853 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.613 ' O ' ' CG ' ' A' ' 60' ' ' MET . 89.4 m-70 -111.71 16.01 20.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.275 -178.923 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.598 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.4 ptm180 -49.62 -34.36 17.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.796 0.331 . . . . 0.0 111.442 179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.72 -30.16 55.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.381 0.61 . . . . 0.0 110.415 -179.44 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.733 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.47 -32.15 66.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.291 179.312 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.0 p -66.91 -31.62 72.33 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 109.903 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 75.6 mm-40 -68.88 -26.5 65.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.059 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -77.72 -47.29 19.45 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.875 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.733 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -139.56 57.39 1.64 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.043 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 61' ' ' CYS . 21.0 pttm -50.73 17.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.113 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.684 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.9 p -77.14 158.15 30.58 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.024 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -82.13 -66.84 0.84 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.8 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.13 -39.08 91.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.897 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.48 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.36 -178.351 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 66' ' ' SER . 78.2 mt -60.55 -40.71 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.967 -179.659 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 71' ' ' LEU . 82.4 mt -55.52 -41.81 73.64 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.529 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -62.16 -44.83 95.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.849 179.524 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.488 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 13.0 mmtt -60.71 -52.69 64.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.677 -179.646 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 78' ' ' TRP . 9.2 mp -56.9 -37.43 71.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.268 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CG ' HE22 ' A' ' 30' ' ' GLN . 87.2 m-20 -57.52 -44.58 85.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.517 179.367 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 92.3 mt-10 -66.36 -39.39 89.11 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.775 178.481 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.09 -35.96 74.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.524 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.4 t-105 -55.71 -43.24 76.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.172 179.266 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.13 -36.99 86.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.898 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 53.5 mttm -63.93 -34.45 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.396 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.603 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 6.9 p30 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.171 -178.666 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.676 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 37.2 Cg_exo -56.93 149.79 59.26 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 123.002 2.468 . . . . 0.0 112.068 179.812 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt -83.64 147.0 27.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 110.465 179.568 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.92 -167.36 37.44 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.631 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.452 ' O ' ' O ' ' A' ' 6' ' ' MET . 12.8 p -78.22 -6.3 54.48 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.506 -179.243 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.5 ptp -50.14 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.816 179.716 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 6' ' ' MET . 12.6 m-20 86.35 124.16 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.265 0.353 . . . . 0.0 110.789 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -75.06 -173.86 2.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.003 -179.533 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -77.87 150.5 34.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.403 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 37.0 p -83.02 161.18 21.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -56.64 -42.83 79.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.364 -179.038 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.675 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 74.9 m-20 -64.59 -42.27 95.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.404 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 94.1 mt-10 -67.75 -39.25 84.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.247 178.33 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' THR . 3.9 t-105 -61.95 -46.87 87.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.439 179.83 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.608 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 88.0 m-20 -56.34 -41.54 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.455 179.319 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.675 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -62.6 -44.13 97.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.484 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.66 -38.72 85.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -59.48 -44.07 93.14 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.668 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.608 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -59.1 -44.06 91.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.164 -179.482 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HB3' ' CE ' ' A' ' 67' ' ' LYS . 71.8 m-20 -61.48 -41.82 97.85 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.565 179.547 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CE2' HD21 ' A' ' 74' ' ' LEU . 3.9 m-30 -65.22 -47.67 76.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.826 179.195 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.504 HD12 ' NE2' ' A' ' 19' ' ' GLN . 85.9 mt -57.88 -48.99 82.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.705 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 68.4 m -55.67 -41.52 73.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.33 90.5 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.695 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.0 mm -70.8 -34.61 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.276 -179.643 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -80.34 -32.87 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.324 179.812 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 23' ' ' SER . 90.2 mt-10 -74.68 -39.27 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.505 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 50.1 t-20 -83.73 153.02 24.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.63 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 31' ' ' LYS . 84.3 tt0 -58.98 -25.56 63.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 91.0 mt-30 -50.26 -6.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.267 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.873 ' O ' HG12 ' A' ' 34' ' ' VAL . 25.7 pttm -54.87 -35.49 64.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -63.58 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.035 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CD1' ' OD1' ' A' ' 79' ' ' ASN . 88.2 mt -59.95 -46.0 90.8 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.873 HG12 ' O ' ' A' ' 31' ' ' LYS . 6.7 p -62.14 -31.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.269 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -64.6 -40.15 95.0 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.422 179.509 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -64.7 -40.23 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.608 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 37' ' ' LEU . 8.5 tt -62.76 -41.6 99.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.469 -179.238 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.607 ' O ' ' O ' ' A' ' 35' ' ' ALA . 94.1 m -117.45 146.5 43.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.934 0.397 . . . . 0.0 111.004 -179.931 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 41' ' ' ASP . 92.0 m-20 -27.25 149.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.2 p -49.95 74.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.683 -179.056 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.652 ' N ' ' O ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -108.62 153.16 42.36 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.159 179.133 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.431 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 37.7 Cg_endo -65.01 -76.19 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.756 2.304 . . . . 0.0 110.672 179.425 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.544 ' C ' ' H ' ' A' ' 45' ' ' ASN . 1.8 pt -99.7 -97.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.391 178.384 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.501 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 10.7 tpt 63.76 -38.08 0.19 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.484 178.828 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.68 HD22 HD23 ' A' ' 47' ' ' LEU . 1.0 OUTLIER 44.31 16.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.185 179.028 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.747 HE21 ' HB2' ' A' ' 49' ' ' LEU . 15.1 pt20 46.78 57.39 5.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.52 0.676 . . . . 0.0 109.802 -178.45 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.68 HD23 HD22 ' A' ' 45' ' ' ASN . 53.7 mt -42.73 -52.48 4.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.2 -179.116 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 11.8 p-10 -59.85 -52.77 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.855 -178.222 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.747 ' HB2' HE21 ' A' ' 46' ' ' GLN . 83.7 mt -67.01 -40.57 87.34 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.242 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 45' ' ' ASN . 0.3 OUTLIER -59.1 -45.01 91.96 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.357 -179.248 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 1.2 m-70 -59.81 -46.25 89.8 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.613 0.245 . . . . 0.0 110.73 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -58.7 -47.34 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.708 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.75 -55.02 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.519 179.567 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' A' ' 21' ' ' PHE . 15.2 tp -56.75 -53.39 58.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.354 -179.58 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -54.63 -45.3 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.161 -179.191 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' CZ ' ' CE1' ' A' ' 57' ' ' HIS . 6.0 ttt180 -60.3 -32.16 70.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.405 -179.618 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' A' ' 60' ' ' MET . 36.7 m-70 -112.3 23.88 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.188 -179.427 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -56.18 -35.44 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.277 0.561 . . . . 0.0 110.638 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' MET . 11.3 p30 -58.94 -27.55 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.649 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.3 ptt? -60.56 -30.22 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.082 -179.412 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.459 ' N ' ' HG2' ' A' ' 60' ' ' MET . 13.3 p -61.59 -28.03 69.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.22 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.44 -13.01 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -178.871 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 26.2 mttm -87.34 20.69 2.71 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.21 -50.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 110.59 177.948 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttm 67.82 -4.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.593 -178.847 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 64' ' ' TRP . 12.7 p -94.66 134.92 36.72 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.638 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -62.45 -55.65 25.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.277 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.44 -42.48 87.45 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.218 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.6 m-20 -60.95 -47.79 84.8 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.169 -178.93 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 64' ' ' TRP . 84.7 mt -60.78 -43.1 94.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.614 -179.09 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 71' ' ' LEU . 36.0 mt -57.97 -43.17 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.355 -178.799 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -61.01 -41.16 96.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -67.09 -49.94 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.689 179.846 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' A' ' 21' ' ' PHE . 4.6 mp -57.25 -41.81 80.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.539 179.15 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' HB3' HE22 ' A' ' 30' ' ' GLN . 18.6 m-20 -56.23 -48.72 75.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.644 179.2 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.886 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' ASP . 95.8 mt-30 -70.49 -43.15 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.349 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.3 t-105 -54.92 -45.5 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.427 . . . . 0.0 109.981 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.498 ' OD1' ' CD1' ' A' ' 33' ' ' LEU . 83.0 m-20 -64.39 -38.05 89.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.499 179.301 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -86.06 -7.17 58.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.244 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 77' ' ' GLN . 26.5 m-20 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.64 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -79.4 144.5 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.9 p -83.79 161.23 21.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.64 -38.71 67.19 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.813 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.427 ' C ' HE21 ' A' ' 16' ' ' GLN . 99.3 m-20 -64.51 -47.77 77.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.943 0.402 . . . . 0.0 110.283 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.35 -37.67 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.529 0.68 . . . . 0.0 109.578 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.486 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.9 t-105 -62.95 -49.75 73.5 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -54.6 -39.11 67.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.064 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 HE21 ' C ' ' A' ' 12' ' ' ASP . 56.6 mt-30 -63.54 -43.23 97.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 21' ' ' PHE . 26.1 tp -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.104 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.601 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 70.6 mttt -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.066 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.82 -43.54 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.625 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -59.98 -43.43 95.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.618 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 17' ' ' LEU . 3.6 m-30 -64.68 -46.92 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.407 0.622 . . . . 0.0 109.768 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.588 HG23 ' CB ' ' A' ' 45' ' ' ASN . 71.7 mt -58.42 -48.27 85.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.396 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.5 t -57.56 -42.88 83.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.48 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.66 90.42 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.78 -37.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.045 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.895 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.7 -25.18 38.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.893 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -71.16 -37.31 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.259 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -89.83 151.86 21.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -57.42 -21.32 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.196 0.522 . . . . 0.0 109.703 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.418 HE22 ' HB3' ' A' ' 75' ' ' ASN . 90.5 mt-30 -57.95 -14.04 5.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.198 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.887 ' O ' HG12 ' A' ' 34' ' ' VAL . 13.1 ptpt -52.25 -28.08 17.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.08 -34.8 68.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.62 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.3 mt -62.61 -44.72 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.987 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 31' ' ' LYS . 10.6 p -64.11 -35.86 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.024 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.31 -179.767 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.707 HD21 HD21 ' A' ' 47' ' ' LEU . 6.8 p30 . . . . . 0 CA--C 1.52 -0.175 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' OE1' HG23 ' A' ' 34' ' ' VAL . 21.5 mt-30 63.7 46.45 4.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.063 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.726 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 74.9 mt -43.6 -49.58 7.55 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.208 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 63.2 t0 -57.67 -62.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.515 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.19 -39.01 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.987 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.0 tt -59.85 -46.29 89.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.726 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.5 m-70 -58.1 -50.32 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.072 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 48' ' ' ASP . 41.0 mmtt -60.87 -45.97 92.45 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.231 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.97 -51.89 67.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.399 0.619 . . . . 0.0 110.3 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.0 tp -55.16 -50.57 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.71 -42.76 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.727 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' NE ' ' NE2' ' A' ' 57' ' ' HIS . 42.0 ttp180 -63.32 -33.11 74.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.59 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.477 ' NE2' ' NE ' ' A' ' 56' ' ' ARG . 90.9 m-70 -112.58 17.62 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.044 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.0 ptm180 -52.63 -34.11 49.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.867 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 60' ' ' MET . 24.7 p-10 -59.19 -27.29 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.613 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.713 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.76 -29.81 65.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 p -61.14 -28.29 69.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.479 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -73.24 -12.78 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.416 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.54 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 22.4 mttt -84.8 19.37 2.08 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.713 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.85 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.116 178.376 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.24 -1.23 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.028 0.442 . . . . 0.0 110.114 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.6 p -83.86 -172.97 4.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' O ' HD23 ' A' ' 71' ' ' LEU . 86.8 tttt -121.31 -64.76 1.2 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.81 -39.33 93.94 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.623 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.442 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 65.2 m-20 -62.53 -44.29 96.72 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.685 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 74' ' ' LEU . 57.1 mt -56.4 -44.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.392 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -56.48 -38.58 71.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.798 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.3 -45.8 92.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.027 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 3.4 mptt -63.25 -47.81 80.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.628 HD13 HG22 ' A' ' 70' ' ' ILE . 6.7 mp -58.64 -38.06 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.606 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.418 ' HB3' HE22 ' A' ' 30' ' ' GLN . 3.5 m120 -58.41 -47.11 84.99 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.76 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.61 -37.14 85.77 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -73.11 -38.91 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.22 -42.52 86.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 75' ' ' ASN . 21.9 m120 -60.29 -41.29 93.05 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -88.04 -17.83 30.29 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.474 -0.491 . . . . 0.0 111.739 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.778 -179.604 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.0 mttt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.78 148.39 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.066 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 58.4 p -83.49 158.38 22.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.68 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -52.5 -41.31 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.473 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.27 -46.55 80.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 110.647 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.431 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 81.2 mm-40 -64.95 -36.23 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.454 ' CD1' ' NZ ' ' A' ' 18' ' ' LYS . 2.5 t-105 -63.44 -49.43 73.75 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.038 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.465 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 87.0 m-20 -53.8 -40.16 66.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.731 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -65.5 -42.25 92.31 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD11 ' CE1' ' A' ' 21' ' ' PHE . 35.9 tp -61.6 -37.42 83.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.877 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HZ2' ' HA ' ' A' ' 15' ' ' ASN . 54.5 mttp -60.56 -45.33 94.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.894 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.497 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -63.13 -43.88 97.16 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.258 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.694 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 96.9 m-20 -61.87 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.965 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -66.53 -46.91 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.3 mt -57.48 -44.48 84.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.854 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 t -56.58 -42.35 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.347 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . -62.09 -35.79 91.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 21' ' ' PHE . 11.8 mm -71.29 -36.28 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.882 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.95 -27.68 30.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.2 0.524 . . . . 0.0 109.809 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 50.0 tp10 -70.01 -33.19 71.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.156 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 17.5 m-20 -99.3 146.48 26.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.353 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 31' ' ' LYS . 83.4 tt0 -55.81 -22.39 24.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -49.04 -12.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.629 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 29' ' ' GLU . 6.2 ttpm? -49.06 -29.08 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.436 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.722 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 17.0 p30 -58.16 -29.93 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.722 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 71.6 mt -63.46 -37.13 86.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.54 -42.02 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.484 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.81 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.694 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 2.8 m120 . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.591 0.234 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.694 ' NE2' ' O ' ' A' ' 45' ' ' ASN . 0.8 OUTLIER 40.73 69.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 109.484 -178.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 47' ' ' LEU . 75.1 mt -53.11 -45.18 68.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.717 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -58.08 -50.49 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.588 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.1 mp -69.79 -39.65 76.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.143 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.0 tt -58.91 -45.05 91.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.119 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.571 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -58.93 -46.73 87.25 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -59.08 -54.4 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.616 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.74 -50.13 71.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.208 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.0 -42.79 80.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.742 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 56' ' ' ARG . 36.6 ttp-105 -63.14 -31.94 73.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.556 ' O ' ' CG ' ' A' ' 60' ' ' MET . 69.0 m-70 -109.79 17.34 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.4 ptm180 -53.42 -36.15 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 110.134 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -58.71 -33.13 69.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.764 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.2 ppp? -58.88 -31.5 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.641 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.509 ' N ' ' HG3' ' A' ' 60' ' ' MET . 7.9 p -59.23 -26.25 64.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -74.9 -13.17 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.806 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.577 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 33.2 mtpt -87.83 25.16 1.58 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.764 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.67 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.861 178.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 mttm 61.43 -6.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.633 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.611 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 96.3 p -83.13 172.87 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.694 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 9.8 tptt -99.99 -56.81 2.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 111.635 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.59 -45.49 86.73 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.419 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 18.9 m-20 -59.05 -43.79 91.72 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.101 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CD1' ' O ' ' A' ' 66' ' ' SER . 30.1 mt -59.58 -42.22 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.092 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.71 -38.96 76.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -63.06 -40.77 98.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptt -61.43 -48.05 82.92 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.836 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 70' ' ' ILE . 7.8 mp -55.27 -41.98 72.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -57.6 -44.74 85.65 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.472 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -69.54 -41.15 76.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.408 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.32 -40.96 86.01 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.569 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 1.3 t90 -57.83 -40.85 81.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -61.29 -41.2 96.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.489 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 47.7 mmtt -85.49 -5.36 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 79.5 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.854 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.976 0.417 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -78.59 139.79 38.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.287 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.0 p -83.38 162.47 21.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.465 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -55.13 -42.6 73.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.548 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.9 -45.02 95.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.015 0.436 . . . . 0.0 110.342 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.35 -39.3 85.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.852 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -62.72 -47.99 81.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.572 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 74.6 m-20 -54.69 -39.85 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.618 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -65.03 -42.31 94.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.592 HD11 ' CE1' ' A' ' 21' ' ' PHE . 43.3 tp -59.0 -38.89 80.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.291 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -60.45 -47.81 84.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.572 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 2.9 mp0 -59.9 -43.62 94.74 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.816 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -59.44 -43.73 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.3 m-30 -68.32 -46.71 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.953 0.406 . . . . 0.0 110.177 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.58 -48.8 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.817 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.2 m -55.93 -41.53 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.45 -31.1 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 21' ' ' PHE . 40.5 mm -70.71 -44.3 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.553 0.216 . . . . 0.0 111.284 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.33 -24.25 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 110.708 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -79.48 -43.04 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.464 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.523 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 25.8 p30 -84.97 162.38 19.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.063 0.459 . . . . 0.0 111.412 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 31' ' ' LYS . 37.6 tp10 -60.49 -28.47 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.534 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.758 HE22 ' CG ' ' A' ' 75' ' ' ASN . 76.1 mt-30 -49.03 -6.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.411 . . . . 0.0 110.718 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' H ' ' C ' ' A' ' 29' ' ' GLU . 53.2 tttm -58.28 -36.69 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.699 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 43.8 p-10 -61.8 -33.99 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD13 ' ND2' ' A' ' 79' ' ' ASN . 71.2 mt -67.96 -46.51 71.22 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.759 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.3 p -68.36 -30.31 47.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.691 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.309 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 81.2 m-20 . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.556 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 16.6 pt20 47.8 64.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.26 0.553 . . . . 0.0 111.014 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.562 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 46.8 mt -55.43 -44.28 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.78 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.47 -52.27 65.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' H ' HD12 ' A' ' 49' ' ' LEU . 6.2 mp -66.75 -40.07 88.15 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.301 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.1 tt -59.03 -45.73 89.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.007 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 24.4 m170 -58.16 -47.32 83.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.296 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -60.62 -48.97 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -57.25 -49.01 77.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.797 0.808 . . . . 0.0 109.077 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.85 -52.86 63.44 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.275 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.13 -41.54 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.64 -31.59 69.66 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.616 0.246 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.476 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.3 m-70 -114.14 23.31 13.02 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.651 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.656 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.3 ptm180 -54.14 -34.34 60.13 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.71 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.4 p30 -61.25 -29.03 69.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.031 0.443 . . . . 0.0 110.708 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.712 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.4 ptt? -56.79 -29.74 62.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 31.4 p -58.07 -28.03 64.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -76.05 -12.55 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.563 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtpp -86.16 19.85 2.53 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.712 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.44 -40.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.147 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mttp 60.77 32.19 20.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.0 p -150.59 136.32 18.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.139 0.495 . . . . 0.0 110.473 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.602 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 42.4 tttp -63.21 -52.05 63.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -60.98 -38.8 87.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -63.08 -46.11 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.777 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 64' ' ' TRP . 96.9 mt -57.9 -48.65 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.494 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.602 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 56.4 mt -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.774 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -59.09 -47.7 84.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 10.2 mmtm -63.25 -49.91 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.353 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.1 mp -58.84 -39.35 81.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.758 ' CG ' HE22 ' A' ' 30' ' ' GLN . 8.1 m120 -52.64 -48.09 66.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.59 -40.62 88.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.408 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 81' ' ' ASP . 71.4 mt-30 -70.87 -36.18 72.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.644 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t-105 -56.43 -45.54 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.547 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.543 ' ND2' HD13 ' A' ' 33' ' ' LEU . 2.8 m120 -69.2 -42.3 75.95 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.64 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -82.78 2.84 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.154 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 77' ' ' GLN . 76.0 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.835 -1.078 . . . . 0.0 110.466 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -72.39 139.89 48.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' TRP . 49.6 p -85.61 164.46 17.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.908 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.616 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 64.3 m-20 -54.86 -39.85 69.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 83.7 m-20 -69.73 -42.69 73.65 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.584 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 97.9 mt-10 -66.33 -41.1 90.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 109.473 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.706 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 3.1 t-105 -64.64 -49.29 71.61 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.35 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 78.4 m-20 -54.43 -40.98 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.035 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 2.9 mt-30 -66.34 -43.97 84.59 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.706 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 56.1 tp -57.67 -39.16 76.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.126 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 21.7 mttt -58.63 -45.95 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.877 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -60.58 -43.68 97.08 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.608 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.63 -45.25 94.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.471 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.2 m-30 -63.83 -46.81 83.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.664 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.612 ' CG2' HD22 ' A' ' 45' ' ' ASN . 58.3 mt -57.81 -49.49 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.576 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.707 ' HA ' HD23 ' A' ' 26' ' ' LEU . 21.4 m -55.36 -42.88 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.868 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -55.53 -36.47 64.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mm -76.27 -31.28 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -75.87 -33.08 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 110.01 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 87.1 mt-10 -78.87 -34.74 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.689 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 62.0 m-20 -78.65 164.71 24.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.273 0.559 . . . . 0.0 112.032 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -66.72 -26.62 67.09 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.599 ' OE1' ' OD1' ' A' ' 75' ' ' ASN . 55.8 mt-30 -50.48 -14.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.198 -1.365 . . . . 0.0 111.18 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.9 ttpm? -54.98 -40.07 69.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.095 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.44 -33.87 76.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 33' ' ' LEU . 16.4 tp -66.1 -43.92 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.488 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG23 ' OE1' ' A' ' 46' ' ' GLN . 7.7 p -69.4 -33.44 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.115 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.285 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.612 HD22 ' CG2' ' A' ' 22' ' ' ILE . 13.8 m-20 . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.556 ' OE1' HG23 ' A' ' 34' ' ' VAL . 34.9 mt-30 65.1 45.33 3.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.492 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.702 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 27.2 mt -43.52 -56.94 3.37 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.364 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.11 -56.26 23.77 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 49' ' ' LEU . 77.9 mt -65.53 -41.97 92.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.34 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.6 tt -58.94 -44.69 91.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.024 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 14.1 m170 -58.07 -46.07 86.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.859 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -60.4 -49.82 76.04 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -54.64 -53.32 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.395 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.7 tp -57.83 -51.54 69.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.032 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.47 -47.92 75.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.607 0.241 . . . . 0.0 111.56 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 110.598 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.608 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -106.88 10.58 30.56 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.458 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.653 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.3 ptm180 -49.65 -35.61 21.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.131 0.491 . . . . 0.0 111.064 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.58 -34.32 64.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.486 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.698 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.94 -29.72 63.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.122 -179.098 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.8 p -59.27 -29.25 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.287 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 85.5 mt-10 -76.63 -10.88 59.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 61.2 mttp -86.29 21.61 2.02 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.698 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.37 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.449 178.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 61.61 46.79 6.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -149.71 118.41 6.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.187 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -50.58 -62.45 1.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.23 -40.53 90.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 15.0 t0 -62.28 -45.18 94.43 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.537 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 64' ' ' TRP . 47.8 mt -60.17 -42.62 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.703 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt -58.85 -42.52 89.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.75 -43.12 94.4 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 12.4 mmtt -59.5 -51.52 69.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.807 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 3.9 mp -57.5 -39.59 76.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.427 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.599 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 87.0 m-20 -55.58 -43.92 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.62 -42.46 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.157 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.36 -41.13 73.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.184 0.516 . . . . 0.0 110.444 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.7 t-105 -54.56 -45.42 73.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.951 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -77.55 -34.13 53.91 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.449 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -58.16 -35.64 71.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.981 0.42 . . . . 0.0 109.91 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t0 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.591 178.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE1' ' SG ' ' A' ' 61' ' ' CYS . 67.6 m-85 -86.32 145.74 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 p -87.19 159.32 18.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.68 -40.29 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.427 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.62 -45.78 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.289 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -65.55 -38.38 89.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.477 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 2.8 t-105 -63.34 -48.26 78.74 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.729 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 98.3 m-20 -55.16 -39.03 69.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.214 0.53 . . . . 0.0 109.746 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -62.8 -43.37 98.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 21' ' ' PHE . 21.8 tp -64.81 -37.41 87.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.382 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . 42.2 mttt -59.08 -45.48 90.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.703 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.688 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -64.37 -40.56 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -60.36 -46.64 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.326 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.3 m-30 -61.58 -50.35 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 47' ' ' LEU . 92.8 mt -57.3 -50.59 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.953 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 8.5 t -54.42 -39.44 67.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.557 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.28 80.84 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 21' ' ' PHE . 18.2 mm -72.91 -43.11 60.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.883 0.373 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.891 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -77.07 -30.2 55.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.887 178.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' SER . 40.3 tp10 -75.7 -29.26 58.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.772 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 30' ' ' GLN . 77.2 m-20 -101.45 153.32 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.138 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.628 ' NE2' ' ND2' ' A' ' 75' ' ' ASN . 73.7 mt-30 -47.42 -24.25 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.822 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 3.3 pttm -49.58 -36.11 22.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 109.97 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.61 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 92.9 m-20 -59.96 -41.29 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.101 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.685 HD23 ' ND2' ' A' ' 79' ' ' ASN . 8.7 mp -61.68 -38.81 89.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.871 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -43.0 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.656 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.572 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 1.5 p-10 . . . . . 0 C--O 1.228 -0.049 0 CA-C-O 120.33 0.109 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.572 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 2.0 pt20 48.69 54.95 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.263 0.554 . . . . 0.0 110.118 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.484 ' HG ' HD21 ' A' ' 45' ' ' ASN . 6.4 mt -47.59 -48.1 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.601 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 74.7 m-20 -58.42 -52.08 67.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.538 -178.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.725 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -66.7 -41.18 88.43 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.139 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -59.14 -44.19 92.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.559 -178.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.453 ' NE2' ' CD2' ' A' ' 47' ' ' LEU . 23.7 m170 -59.55 -46.91 87.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.699 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 59.4 mttp -60.76 -48.83 80.03 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.288 0.566 . . . . 0.0 109.637 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.53 -54.3 45.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.395 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.2 tp -55.62 -49.16 73.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.175 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -55.5 -43.16 75.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -63.0 -31.57 72.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.524 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.643 ' O ' ' SD ' ' A' ' 60' ' ' MET . 86.7 m-70 -112.91 20.03 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -55.49 -34.44 64.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 111.761 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.536 ' O ' ' OE1' ' A' ' 62' ' ' GLU . 77.0 m-20 -58.36 -28.25 64.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.828 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.73 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.9 ptm -55.59 -35.18 65.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.947 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.633 ' SG ' ' CD ' ' A' ' 62' ' ' GLU . 30.4 p -61.99 -29.84 70.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.246 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.633 ' CD ' ' SG ' ' A' ' 61' ' ' CYS . 58.9 mp0 -76.39 -13.72 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.606 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.94 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.287 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.73 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -84.6 -33.1 23.43 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.467 179.555 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? 58.52 -7.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.756 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.688 ' H ' ' C ' ' A' ' 64' ' ' TRP . 3.1 p -85.42 157.07 20.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.209 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 17.1 tttp -93.12 -63.16 1.25 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.164 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.643 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 41.7 mp0 -60.56 -37.36 81.0 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.063 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 83.3 m-20 -63.28 -44.7 94.35 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.921 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.551 HG22 HD13 ' A' ' 74' ' ' LEU . 86.0 mt -60.53 -39.9 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 90.6 mt -56.95 -41.74 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.4 -43.19 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.345 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.67 -50.38 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 70' ' ' ILE . 7.5 mp -56.06 -44.06 78.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.112 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.628 ' ND2' ' NE2' ' A' ' 30' ' ' GLN . 24.1 m-20 -55.46 -44.83 76.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.473 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.22 -41.39 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.6 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.69 -41.86 74.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.079 0.466 . . . . 0.0 110.321 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.448 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.7 t-105 -59.27 -39.25 82.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.93 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.685 ' ND2' HD23 ' A' ' 33' ' ' LEU . 3.2 m120 -72.94 -41.99 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -63.01 -41.93 99.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.136 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.498 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 13.1 t0 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.169 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.9 mttp . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -77.08 145.09 38.08 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.075 0.464 . . . . 0.0 111.673 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -83.69 159.7 21.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.305 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.519 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 88.3 m-20 -55.92 -41.45 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.385 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.678 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 65.3 m-20 -65.65 -45.04 84.47 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.824 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -66.1 -42.95 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.34 0.591 . . . . 0.0 109.79 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.476 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.3 t-105 -60.54 -45.73 92.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.01 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 90.5 m-20 -54.0 -40.71 67.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.655 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.678 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -63.86 -42.65 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.8 tp -62.34 -35.4 78.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.827 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 14' ' ' TRP . 68.0 mttt -58.27 -44.03 88.21 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.804 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.83 -41.75 98.17 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.724 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.94 -40.4 84.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.68 ' CE2' HD21 ' A' ' 74' ' ' LEU . 4.4 m-30 -65.84 -45.33 82.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD11 HD21 ' A' ' 47' ' ' LEU . 97.9 mt -59.55 -45.77 93.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.731 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -57.64 -45.62 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.675 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.92 -30.31 74.94 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.539 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 5.6 mm -70.63 -38.27 72.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.797 0.332 . . . . 0.0 110.616 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.849 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -73.26 -35.76 66.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -89.91 157.73 17.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -57.11 -25.25 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -50.45 -12.57 0.1 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.512 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' O ' HG12 ' A' ' 34' ' ' VAL . 40.7 tttp -56.49 -35.64 68.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.269 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.714 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 31.6 p30 -60.77 -36.07 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.909 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.714 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 40.6 tp -66.85 -49.0 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.664 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -65.01 -31.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.372 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.829 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 65.1 m-20 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.105 0.478 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.544 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 12.7 pt20 48.54 59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.391 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 22' ' ' ILE . 8.8 mt -60.17 -45.65 92.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.829 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.74 -51.34 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.698 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -66.68 -41.21 88.46 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.448 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.3 tt -58.28 -44.4 88.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.98 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.3 m170 -59.81 -46.55 88.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.281 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.19 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.252 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -58.19 -49.17 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 21' ' ' PHE . 19.9 tp -58.88 -54.74 43.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.233 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 28.3 m-20 -56.72 -41.17 76.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.225 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.502 HH11 ' HG3' ' A' ' 56' ' ' ARG . 39.2 ttm-85 -60.54 -32.89 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.36 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.61 ' O ' ' CG ' ' A' ' 60' ' ' MET . 84.5 m-70 -114.54 24.69 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -53.15 -33.7 53.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.94 -25.66 65.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.632 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.745 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.06 -33.36 67.16 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.608 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.9 p -66.73 -30.33 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.208 0.528 . . . . 0.0 110.28 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 74.9 mm-40 -74.55 -29.05 61.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -75.48 -44.97 41.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -127.36 49.22 2.12 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.8 179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' TRP . 37.1 tttt -35.44 82.09 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.79 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.677 ' N ' ' O ' ' A' ' 64' ' ' TRP . 26.0 p -153.04 166.5 32.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -100.29 -69.64 0.76 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -61.88 -37.66 85.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 111.033 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.463 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -61.39 -51.36 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.652 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 66' ' ' SER . 34.7 mt -60.23 -43.82 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.639 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.663 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 79.6 mt -55.37 -40.59 71.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.699 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.473 ' HD1' ' C ' ' A' ' 72' ' ' HIS . 1.2 t-80 -61.78 -45.39 94.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtm -60.73 -51.51 69.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.43 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.68 HD21 ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -58.01 -39.46 78.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.511 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.663 ' ND2' ' O ' ' A' ' 71' ' ' LEU . 3.6 m120 -55.15 -46.63 75.7 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.312 0.577 . . . . 0.0 109.935 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 94.4 mt-10 -64.63 -39.51 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.332 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.43 -35.72 58.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.348 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.539 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 4.4 t-105 -55.31 -41.55 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.826 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -58.52 -38.17 77.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.434 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 81' ' ' ASP . 25.1 mttm -58.95 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.727 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.501 ' O ' ' O ' ' A' ' 80' ' ' LYS . 65.1 t0 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.558 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 mttt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.648 0.261 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -74.21 149.74 40.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.04 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 p -85.03 159.88 20.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.243 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -54.54 -40.57 68.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.776 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.23 -43.95 76.82 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 99.0 mt-10 -65.16 -40.24 94.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 109.184 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.503 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.6 t-105 -63.41 -48.4 77.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.765 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.593 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 7.1 m120 -56.23 -43.89 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.989 0.423 . . . . 0.0 111.024 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 1.8 mt-30 -61.38 -41.61 97.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 34.4 tp -62.22 -39.89 94.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.436 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.4 mttt -57.62 -42.09 82.64 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.076 0.465 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.593 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 4.2 mp0 -64.41 -39.59 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.12 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.629 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 90.4 m-20 -58.55 -42.88 88.88 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.933 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 54' ' ' LEU . 29.3 m-85 -63.85 -50.46 68.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.595 HG23 ' ND2' ' A' ' 45' ' ' ASN . 77.7 mt -58.08 -42.21 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.6 m -58.48 -49.95 75.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.553 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.57 75.45 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.672 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.455 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 4.7 mm -71.76 -46.41 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.653 -0.322 . . . . 0.0 110.82 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.744 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -80.26 -28.12 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -72.84 -44.77 61.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.576 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -88.86 167.23 13.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.127 0.489 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 31' ' ' LYS . 46.2 tp10 -59.37 -23.64 62.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.802 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HA ' HD13 ' A' ' 33' ' ' LEU . 53.3 mm-40 -50.54 -7.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.279 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.556 ' H ' ' C ' ' A' ' 29' ' ' GLU . 15.1 pttp -60.01 -30.38 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.752 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -58.53 -35.85 72.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 33' ' ' LEU . 8.3 mp -62.74 -36.89 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.768 HG22 HE22 ' A' ' 46' ' ' GLN . 0.9 OUTLIER -68.22 -37.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.202 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.595 ' ND2' HG23 ' A' ' 22' ' ' ILE . 55.9 m-80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.768 HE22 HG22 ' A' ' 34' ' ' VAL . 11.2 pm0 45.05 64.43 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.889 0.852 . . . . 0.0 109.831 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.691 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.3 mt -48.56 -48.13 38.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.121 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.583 ' CG ' HD12 ' A' ' 49' ' ' LEU . 29.9 p-10 -59.78 -53.67 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.583 HD12 ' CG ' ' A' ' 48' ' ' ASP . 7.1 mp -69.56 -41.98 75.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 50' ' ' LEU . 7.5 tt -58.5 -44.04 89.28 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.839 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.691 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 13.0 m-70 -58.32 -49.58 76.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.56 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -58.16 -43.17 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -58.35 -54.95 41.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.658 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 21' ' ' PHE . 9.5 tp -56.72 -52.44 64.97 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.757 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -56.42 -43.6 79.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.134 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 13.2 ttm105 -63.24 -31.53 72.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.965 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -112.85 17.57 18.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.378 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.576 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.3 ptm180 -50.28 -34.09 22.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.086 0.47 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.39 -31.33 67.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.645 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.73 -27.42 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 0.0 111.054 179.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.576 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.0 p -61.61 -29.54 70.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.576 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 98.9 mt-10 -77.57 -12.0 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 30.0 mtmt -84.69 23.06 1.21 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.724 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.03 -45.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.638 178.737 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttm 67.71 -19.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.605 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.8 p -86.34 123.84 32.03 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.629 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 7.1 tptm -58.56 -51.91 67.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.304 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -56.83 -40.9 76.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.037 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 46.7 m-20 -62.24 -43.49 98.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.123 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.498 HG12 ' CD1' ' A' ' 64' ' ' TRP . 73.5 mt -58.05 -50.45 78.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.731 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.33 -42.73 74.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -60.12 -44.97 94.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -64.69 -48.7 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.025 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 3.5 mp -57.57 -40.34 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -56.07 -44.4 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -67.19 -41.0 86.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.7 -36.66 78.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 0.0 109.69 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.455 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.2 t-105 -56.8 -49.05 76.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.875 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -70.14 -34.39 72.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.375 0.607 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -64.58 -36.77 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.038 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.87 -179.09 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mttm . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -75.72 145.31 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.554 . . . . 0.0 111.446 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 18.1 p -80.73 158.0 25.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.644 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.22 -40.95 68.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 87.6 m-20 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.684 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 77.9 mm-40 -64.16 -39.37 93.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.745 0.783 . . . . 0.0 109.412 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.487 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -62.95 -48.34 79.31 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.357 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.505 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 84.3 m-20 -54.37 -42.33 70.2 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.279 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.588 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -64.51 -43.31 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.615 HD11 ' CE1' ' A' ' 21' ' ' PHE . 52.1 tp -60.92 -36.45 79.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.269 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 22.8 mttm -61.72 -46.77 88.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.584 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.615 HE21 HD12 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -60.14 -40.08 88.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.489 -179.502 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.96 -44.57 96.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.793 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -63.71 -43.55 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.839 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.3 mt -58.38 -45.13 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -58.57 -45.32 89.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.621 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.1 63.47 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.498 HD11 ' CE3' ' A' ' 78' ' ' TRP . 19.5 mm -74.6 -43.79 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.81 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.13 -29.4 62.87 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.147 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.17 -40.77 44.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' HB3' HE21 ' A' ' 30' ' ' GLN . 86.6 m-20 -82.77 159.02 22.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.0 tt0 -57.0 -24.31 52.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.6 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -51.91 -10.89 0.13 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.823 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' HG12 ' A' ' 34' ' ' VAL . 40.0 ttpt -56.44 -38.09 71.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.342 0.592 . . . . 0.0 111.532 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 12.3 t70 -66.79 -39.9 87.94 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.213 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.713 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 86.0 mt -60.74 -45.69 93.32 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.359 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.657 HG23 ' NE2' ' A' ' 46' ' ' GLN . 10.3 p -64.81 -30.04 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.843 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.212 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.839 ' OD1' HG23 ' A' ' 22' ' ' ILE . 2.6 m120 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.648 0.261 . . . . 0.0 111.585 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.716 ' NE2' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 52.94 45.67 28.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.515 0.674 . . . . 0.0 110.055 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 6.3 mt -29.22 -54.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -60.07 -54.74 42.42 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.492 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.9 tt -57.37 -44.43 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 19.4 m170 -57.98 -46.55 84.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.279 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.66 -48.38 82.04 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.432 ' CH2' ' OE1' ' A' ' 77' ' ' GLN . 69.4 t90 -56.05 -52.6 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.14 -52.21 66.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.254 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.63 -41.97 67.29 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.144 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -62.46 -33.66 75.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.577 ' O ' ' CG ' ' A' ' 60' ' ' MET . 76.7 m-70 -110.79 19.76 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.301 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.725 0.297 . . . . 0.0 111.334 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -57.37 -34.48 68.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 109.988 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.735 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.4 ppp? -60.5 -28.07 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.939 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 11.2 p -60.03 -28.03 67.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.449 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -76.82 -13.12 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.274 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.548 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 91.4 mttt -82.15 20.42 1.03 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.564 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.735 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.22 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.788 178.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.32 -6.27 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.0 p -89.49 174.92 7.52 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.497 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.72 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 16.2 tttm -112.24 -53.0 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.69 -37.65 87.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -65.46 -44.23 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.188 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 66' ' ' SER . 65.5 mt -61.93 -40.58 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.203 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.72 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 83.4 mt -58.08 -41.4 83.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.565 ' CE1' ' OE2' ' A' ' 76' ' ' GLU . 11.3 t-80 -61.28 -39.5 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 110.164 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -61.83 -48.15 81.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.685 178.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.9 mp -57.92 -40.38 80.28 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.65 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.37 -48.05 80.06 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.369 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.565 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 96.4 mt-10 -65.01 -39.15 93.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.546 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 89.1 mt-30 -70.46 -38.71 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.345 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.531 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 1.1 t-105 -56.69 -46.62 81.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.391 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.713 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 4.0 m120 -65.35 -39.73 92.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' ASP . 27.0 mtpt -83.71 1.78 40.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.658 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' CG ' ' O ' ' A' ' 78' ' ' TRP . 76.9 m-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.723 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.458 -0.052 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -74.1 151.04 40.22 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.029 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.406 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 27.7 p -85.22 160.36 19.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.702 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.468 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 53.2 m-20 -55.07 -40.54 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.281 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.57 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 79.9 m-20 -66.78 -45.45 78.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.983 0.42 . . . . 0.0 110.708 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 93.5 mt-10 -63.9 -39.76 94.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.567 0.699 . . . . 0.0 109.422 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.487 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.1 t-105 -62.47 -45.38 93.33 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.316 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.544 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.5 m120 -55.75 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.69 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.614 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -63.93 -41.91 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -59.72 -38.65 82.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.699 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 24.7 mttt -61.22 -45.78 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.49 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.694 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 2.5 mp0 -61.18 -44.2 97.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.71 -42.11 96.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CD1' HD11 ' A' ' 71' ' ' LEU . 5.6 m-30 -67.02 -45.22 78.17 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.172 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 m -56.6 -41.91 77.84 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.512 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . -61.14 -32.23 79.74 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mm -73.08 -37.95 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.345 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.52 -29.24 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 75.4 mm-40 -75.99 -34.62 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.537 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.522 HD21 ' HB3' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -95.34 168.41 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.346 0.594 . . . . 0.0 111.548 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.07 -25.98 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.32 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.522 ' HB3' HD21 ' A' ' 28' ' ' ASN . 4.6 tt0 -54.05 -15.76 1.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.798 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -57.7 -38.32 75.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.428 0.632 . . . . 0.0 109.784 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -61.11 -44.87 96.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.035 179.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 tp -55.21 -39.65 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.342 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.492 HG11 ' ND2' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -64.83 -37.1 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.13 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.467 179.424 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 7.7 m120 . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.543 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 16.6 pt20 49.24 58.5 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.676 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 25.8 mt -48.51 -49.38 36.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.566 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 14.5 p-10 -61.16 -56.22 23.28 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB2' HE21 ' A' ' 46' ' ' GLN . 64.1 mt -61.75 -40.35 94.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.666 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.9 tt -58.94 -45.4 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.984 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 15.4 m170 -61.06 -45.97 92.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.319 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -59.98 -48.09 83.13 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.58 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.805 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.9 tp -58.24 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.665 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -56.97 -43.24 81.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.374 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -60.89 -33.71 73.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.555 ' O ' ' CG ' ' A' ' 60' ' ' MET . 88.2 m-70 -116.04 23.32 12.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -52.55 -33.3 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.087 0.47 . . . . 0.0 110.225 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.698 ' OD1' ' N ' ' A' ' 60' ' ' MET . 45.2 p-10 -58.66 -28.89 66.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.484 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.708 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.64 -27.47 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -179.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 22.0 p -62.01 -28.24 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.741 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.72 -14.83 61.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.78 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 23.6 mttp -84.61 17.94 2.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.755 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.708 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.39 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.163 178.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp 64.05 0.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 70' ' ' ILE . 79.1 p -84.33 166.34 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 71' ' ' LEU . 23.4 tttm -98.15 -70.77 0.71 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.34 -40.13 85.35 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.673 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 29.2 t0 -61.97 -41.98 98.61 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 66' ' ' SER . 48.2 mt -58.78 -46.43 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.29 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 8.2 mp -55.21 -37.75 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.238 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -62.35 -46.8 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.337 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.673 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 13.2 mmtm -61.33 -50.73 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.0 mp -56.11 -41.84 75.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.244 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.511 ' ND2' HE22 ' A' ' 30' ' ' GLN . 6.3 m120 -55.0 -42.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.438 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.05 -43.16 88.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.545 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 94.4 mm-40 -71.9 -36.68 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.759 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.06 -43.33 73.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -64.16 -36.56 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.897 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.8 -6.35 58.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.404 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 1.4 m-20 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.399 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -77.82 134.31 38.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.286 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.1 p -85.61 162.46 18.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.773 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.649 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 94.7 m-20 -54.04 -40.16 66.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.803 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -65.39 -48.69 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.418 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.04 -39.89 95.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.396 0.617 . . . . 0.0 109.487 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.9 t-105 -63.82 -49.4 72.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.541 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.649 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 85.0 m-20 -55.1 -38.64 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.089 0.471 . . . . 0.0 110.557 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -63.37 -42.61 98.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.94 -37.92 84.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.244 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.8 mttt -59.28 -44.97 92.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.578 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -62.23 -41.7 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.762 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.38 -43.57 92.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.681 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.1 m-30 -65.64 -47.74 74.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.584 HG23 ' CG ' ' A' ' 45' ' ' ASN . 95.4 mt -59.16 -43.87 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.384 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 t -57.62 -46.49 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.349 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.521 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.02 -31.92 69.7 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.622 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 65.4 mt -70.5 -51.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.824 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -68.54 -31.68 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 0.0 109.764 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tm-20 -75.39 -42.52 53.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.962 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.74 ' C ' HD22 ' A' ' 28' ' ' ASN . 0.1 OUTLIER -88.5 163.14 16.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.277 0.56 . . . . 0.0 111.221 -179.415 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' A' ' 31' ' ' LYS . 31.5 tt0 -63.05 -25.67 68.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.412 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -54.5 -7.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.967 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 29' ' ' GLU . 17.4 tttm -50.22 -28.05 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.954 0.407 . . . . 0.0 110.588 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -59.26 -36.32 75.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.585 HD21 ' ND2' ' A' ' 79' ' ' ASN . 7.9 mp -56.1 -40.86 74.32 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.604 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -43.68 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.065 0.46 . . . . 0.0 109.784 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.714 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.584 ' CG ' HG23 ' A' ' 22' ' ' ILE . 12.5 m120 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.683 0.278 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 70.1 mt-30 64.55 45.33 3.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.558 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.646 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 18.2 mt -41.56 -55.68 2.81 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.087 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -61.67 -56.04 24.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 49' ' ' LEU . 69.8 mt -67.83 -43.39 79.67 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.991 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -58.48 -41.38 85.15 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 3.9 m-70 -59.05 -49.47 77.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.905 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.466 ' CH2' ' OE1' ' A' ' 77' ' ' GLN . 36.9 t90 -53.69 -55.85 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.52 -49.63 72.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.505 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 66.6 m-20 -55.63 -43.45 76.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -64.09 -33.15 75.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.453 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.474 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.2 m-70 -109.56 18.25 20.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.318 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.54 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.9 ptm180 -54.6 -36.28 64.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.02 -28.75 66.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.724 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.0 ptt? -57.91 -30.27 65.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.827 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -60.26 -27.25 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -74.2 -13.48 60.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.767 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 32.6 mtpt -87.27 19.84 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.305 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.724 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.09 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.409 -0.517 . . . . 0.0 112.018 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt 63.57 -0.64 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.518 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 92.9 p -83.75 170.84 13.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.567 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -107.09 -67.64 0.94 Allowed 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -61.47 -39.93 92.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.989 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 63.3 m-20 -61.47 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.795 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.562 HG22 HD13 ' A' ' 74' ' ' LEU . 63.5 mt -58.26 -42.33 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.934 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 21' ' ' PHE . 80.6 mt -56.61 -41.53 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.371 . . . . 0.0 110.416 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtt -60.34 -50.64 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.562 HD13 HG22 ' A' ' 70' ' ' ILE . 6.9 mp -56.71 -42.43 79.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.792 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.534 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 94.2 m-20 -54.83 -46.78 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.811 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.7 -39.87 80.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.871 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.466 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 37.0 tt0 -68.12 -41.07 82.29 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.622 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.4 t-105 -55.37 -40.38 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.631 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.585 ' ND2' HD21 ' A' ' 33' ' ' LEU . 31.2 m120 -64.83 -43.71 92.18 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.405 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.61 -9.03 58.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.938 0.399 . . . . 0.0 110.511 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD2' ' NE1' ' A' ' 53' ' ' TRP . 42.6 t0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.549 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.703 ' NZ ' ' NH2' ' A' ' 58' ' ' ARG . 6.4 mtmp? . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.882 0.372 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.67 143.42 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.3 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.4 p -82.48 163.14 21.78 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -55.92 -40.01 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.908 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.683 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 98.8 m-20 -65.6 -47.32 76.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.368 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.83 -40.88 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.469 0.652 . . . . 0.0 109.277 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.617 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.5 t-105 -62.61 -45.02 94.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.357 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.587 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 69.9 m-20 -54.15 -40.33 67.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.299 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.683 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 4.6 mp0 -65.19 -42.02 93.97 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 21' ' ' PHE . 42.2 tp -59.04 -39.41 81.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.532 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 29.3 mttt -61.12 -46.85 88.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.587 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.1 mp0 -60.11 -45.27 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.923 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.09 -47.33 86.81 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.4 m-30 -59.78 -46.58 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.565 HG23 ' CB ' ' A' ' 45' ' ' ASN . 92.6 mt -57.75 -44.21 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.538 ' HA ' HD23 ' A' ' 26' ' ' LEU . 20.9 t -57.08 -43.84 82.54 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.01 93.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.581 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 13.1 mm -75.76 -40.31 39.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.989 0.423 . . . . 0.0 110.76 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.82 -30.93 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -78.57 -42.02 30.36 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.732 0.301 . . . . 0.0 111.23 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.642 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 56.8 p30 -78.81 171.91 14.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.135 0.493 . . . . 0.0 111.773 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -62.77 -29.77 70.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.642 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 91.5 mt-30 -49.35 -15.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.45 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -56.9 -33.83 67.31 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.063 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.71 -36.7 83.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.28 0.562 . . . . 0.0 109.766 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 33' ' ' LEU . 4.0 tt -64.13 -39.83 94.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.491 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 45' ' ' ASN . 1.2 t -62.09 -41.92 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.384 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.052 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.601 ' HA ' HG21 ' A' ' 34' ' ' VAL . 11.2 p30 . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 120.576 0.226 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' LEU . 60.4 mt-30 63.38 42.25 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.56 ' HG ' HD21 ' A' ' 45' ' ' ASN . 12.0 mt -37.91 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.714 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -58.74 -56.68 19.06 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.7 mp -69.1 -41.01 78.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.272 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.35 -45.58 91.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.079 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 22.2 m170 -60.23 -48.89 79.8 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.456 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -61.1 -46.93 88.6 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.516 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.08 -53.05 62.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.91 -49.95 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.617 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 88.2 m-20 -58.11 -43.97 87.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 56' ' ' ARG . 39.2 ttp180 -61.35 -31.53 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.367 . . . . 0.0 110.79 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 60' ' ' MET . 4.2 m-70 -105.46 16.28 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.792 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.703 ' NH2' ' NZ ' ' A' ' 8' ' ' LYS . 13.2 ptm180 -54.24 -36.85 64.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -57.39 -27.03 61.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.678 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 11.5 ptm -57.03 -29.4 63.34 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.756 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.477 ' HA ' ' HE1' ' A' ' 64' ' ' TRP . 9.0 p -62.24 -28.52 69.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.888 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.96 -13.26 62.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.44 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 8.4 mttp -87.83 17.96 4.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.678 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -167.0 -45.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.148 178.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 tttm 69.05 -7.16 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.402 . . . . 0.0 110.231 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' TRP . 21.3 p -82.46 -156.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.238 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -133.0 -63.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.914 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.95 -37.43 82.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 111.411 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.877 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.584 HG22 HD13 ' A' ' 74' ' ' LEU . 63.2 mt -58.74 -42.46 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 48.3 mt -55.85 -43.2 76.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.696 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.594 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 71.1 m-70 -60.66 -46.43 90.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.287 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -61.66 -51.71 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.531 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 70' ' ' ILE . 10.7 mp -56.57 -35.4 68.13 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.761 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 70.0 m-20 -56.29 -49.2 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.097 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.594 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 23.5 mp0 -65.6 -37.42 86.58 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.549 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -70.02 -36.9 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.2 t-105 -57.75 -47.86 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.41 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.573 ' N ' HD22 ' A' ' 79' ' ' ASN . 1.6 m120 -69.63 -34.35 73.93 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.261 0.553 . . . . 0.0 109.989 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -81.92 -7.69 59.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.672 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 t0 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.314 179.848 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HD2' HH22 ' A' ' 58' ' ' ARG . 17.4 pttp . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -75.1 141.49 43.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.032 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 65.7 p -84.59 162.28 19.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.501 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -54.16 -42.46 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.727 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -65.92 -45.83 80.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.498 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 76.7 mm-40 -63.57 -41.4 98.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 109.577 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 4.6 t-105 -63.6 -47.95 79.34 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.96 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.512 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 5.9 m120 -54.03 -39.33 66.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.958 0.408 . . . . 0.0 110.18 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -63.27 -43.15 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.772 HD11 ' CE1' ' A' ' 21' ' ' PHE . 67.0 tp -60.65 -38.16 83.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.684 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HD3' ' HD1' ' A' ' 51' ' ' HIS . 35.6 mttt -60.78 -45.33 94.79 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.663 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.512 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.5 mp0 -60.55 -44.04 96.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.916 0.388 . . . . 0.0 110.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.41 -42.35 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.53 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.1 m-30 -67.26 -47.98 69.09 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG23 ' OD1' ' A' ' 45' ' ' ASN . 91.4 mt -58.22 -45.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 27' ' ' GLU . 27.4 t -55.2 -43.03 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . -59.6 -32.53 73.86 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 11.3 mm -73.45 -43.97 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -81.4 -34.22 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.917 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.0 mt-10 -76.25 -44.33 37.85 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.059 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 40.9 t30 -79.47 167.69 20.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -57.51 -24.43 55.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.237 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -54.62 -14.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.386 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' CA ' ' O ' ' A' ' 25' ' ' ILE . 15.2 pttp -54.05 -41.64 68.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.507 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 51.1 p30 -65.43 -34.93 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.697 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -65.92 -39.34 90.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -60.5 -41.13 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.254 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.466 ' OD1' HG23 ' A' ' 22' ' ' ILE . 7.8 m120 . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 50' ' ' LEU . 7.8 mt-30 65.35 42.13 4.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.796 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.1 mt -43.85 -55.89 4.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.115 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -59.3 -53.92 52.73 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 mp -67.65 -39.45 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.822 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.3 tt -59.94 -45.87 91.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.851 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.696 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 56.2 m-70 -56.89 -48.66 77.67 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.576 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 10.5 mtmp? -60.91 -46.18 91.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.278 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -55.6 -51.28 67.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.515 0.674 . . . . 0.0 109.423 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.2 tp -57.29 -53.09 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.85 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -54.32 -44.77 72.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.117 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -65.65 -31.64 72.76 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.918 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.573 ' O ' ' CG ' ' A' ' 60' ' ' MET . 1.8 m-70 -110.18 16.9 21.48 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.403 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.55 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.9 ptm180 -52.9 -34.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.41 -26.44 63.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.095 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.17 -30.28 62.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.958 -179.497 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 30.4 p -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.0 111.441 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -72.65 -13.1 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.657 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 48.4 mttp -86.45 18.96 2.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.04 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.994 178.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm 56.12 3.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.627 ' O ' HD12 ' A' ' 70' ' ' ILE . 87.6 p -83.15 177.65 8.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -115.56 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.916 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.89 -39.9 91.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 42.4 m-20 -62.06 -43.94 97.76 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.28 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 66' ' ' SER . 34.0 mt -61.86 -41.51 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 71' ' ' LEU . 42.8 mt -56.45 -40.13 74.3 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.121 0.486 . . . . 0.0 110.362 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -61.23 -44.2 97.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.174 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.96 -52.25 65.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.347 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD13 HG22 ' A' ' 70' ' ' ILE . 7.2 mp -58.28 -37.82 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.218 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.84 -43.36 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.393 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -63.87 -40.97 97.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -69.6 -38.06 77.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.291 0.567 . . . . 0.0 109.602 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -41.89 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.392 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -63.72 -41.71 98.03 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.28 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -82.06 -0.96 46.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.711 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.026 0.441 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -77.26 144.19 38.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.294 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 23.6 p -85.46 163.04 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.34 -43.08 70.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.171 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -65.14 -45.01 86.8 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.055 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -65.55 -41.23 93.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.568 0.699 . . . . 0.0 109.534 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.6 t-105 -61.92 -46.11 90.77 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.004 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.525 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 97.5 m-20 -55.75 -38.93 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 110.802 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.6 -42.96 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.631 HD11 ' CE1' ' A' ' 21' ' ' PHE . 47.9 tp -60.89 -38.96 87.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.538 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.585 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 30.2 mttm -59.63 -45.4 92.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.525 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -62.05 -42.07 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.736 -179.533 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 88.9 m-20 -61.62 -46.07 91.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.634 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.6 m-30 -61.92 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.444 HD12 ' NE2' ' A' ' 19' ' ' GLN . 87.6 mt -58.83 -50.25 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.111 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.3 t -56.68 -42.44 79.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.88 -34.96 85.17 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.48 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 89.9 mt -74.41 -30.69 26.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.281 . . . . 0.0 111.493 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.71 -25.67 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.899 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.43 -23.83 34.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.695 ' ND2' ' CG ' ' A' ' 30' ' ' GLN . 42.7 p-10 -105.32 173.7 6.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.398 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.47 -26.59 65.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.773 ' OE1' HD12 ' A' ' 33' ' ' LEU . 87.5 mm-40 -53.31 -19.37 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.13 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 12.4 pttt -49.45 -36.91 23.95 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 51.6 t0 -66.19 -42.87 88.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.719 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.773 HD12 ' OE1' ' A' ' 30' ' ' GLN . 37.2 mt -62.63 -28.96 70.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.594 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.551 HG22 ' OE1' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.59 -47.25 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.251 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.527 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.423 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.734 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 45' ' ' ASN . 2.1 m120 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.833 0.349 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.551 ' OE1' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 50.21 65.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.715 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.2 mt -47.98 -53.68 15.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.384 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.39 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.88 -42.64 80.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.404 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.5 tt -59.27 -43.95 92.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.824 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.715 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 31.8 m-70 -58.52 -49.63 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.582 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -61.26 -48.37 81.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.748 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -56.89 -53.19 60.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.7 -51.74 66.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.24 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.537 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 83.9 m-20 -58.6 -40.32 82.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.065 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.95 -33.33 75.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.844 0.354 . . . . 0.0 111.269 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 60' ' ' MET . 83.5 m-70 -110.88 18.01 19.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 3.3 ptm180 -51.55 -34.82 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.44 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.9 p-10 -57.9 -29.2 64.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.404 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.687 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -60.8 -27.14 67.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.45 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.7 p -61.56 -28.61 69.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.527 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -74.82 -11.46 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.529 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtmt -84.28 20.87 1.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.256 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.687 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.78 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt 62.06 -0.37 0.47 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.614 ' O ' HD12 ' A' ' 70' ' ' ILE . 97.2 p -89.46 161.28 16.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.189 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' A' ' 20' ' ' ASP . 12.9 tttm -94.61 -62.93 1.24 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.46 -37.7 84.56 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -46.35 87.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 110.929 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 66' ' ' SER . 69.9 mt -59.72 -43.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.549 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.93 -40.14 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.187 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -60.33 -44.05 95.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.643 ' HB3' ' HZ2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.83 -52.05 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.497 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 78' ' ' TRP . 6.2 mp -57.2 -40.53 77.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.811 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.62 -47.0 77.3 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -67.13 -40.56 86.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.5 -38.58 74.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.976 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.48 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 2.8 t-105 -54.51 -45.44 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.615 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.536 ' N ' HD22 ' A' ' 79' ' ' ASN . 1.7 m120 -63.11 -41.89 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -73.75 -28.45 61.69 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.526 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 49.8 t0 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 111.043 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.32 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -76.33 147.13 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.757 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -88.39 160.16 17.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.681 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.48 -41.17 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.624 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.405 ' C ' HE21 ' A' ' 16' ' ' GLN . 85.3 m-20 -64.74 -43.78 92.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 72.2 mt-10 -65.26 -41.51 94.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.898 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.526 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.6 t-105 -64.14 -46.39 84.31 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.551 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -57.43 -37.37 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 110.335 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 47.8 mt-30 -64.12 -44.6 91.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.209 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.805 HD11 ' CE1' ' A' ' 21' ' ' PHE . 34.6 tp -63.46 -37.01 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.327 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 21.8 mttm -59.06 -46.87 87.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.151 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -61.02 -44.2 97.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.481 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -59.8 -43.98 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.612 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.805 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.7 m-30 -68.04 -46.52 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.678 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.614 ' CG2' ' ND2' ' A' ' 45' ' ' ASN . 79.2 mt -57.24 -47.85 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 m -55.64 -40.93 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.53 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -60.39 -32.16 76.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.44 HG21 HG23 ' A' ' 34' ' ' VAL . 39.5 mm -75.62 -35.25 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -86.41 -32.36 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.696 -179.102 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.8 mt-10 -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.723 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.739 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 47.9 p-10 -99.35 175.11 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 111.74 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 31' ' ' LYS . 46.3 tt0 -63.24 -26.28 68.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.715 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.756 HE22 ' ND2' ' A' ' 75' ' ' ASN . 45.1 mt-30 -49.88 -11.32 0.06 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.989 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 29' ' ' GLU . 5.1 ttmm -51.61 -38.14 53.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.635 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -53.12 -31.31 41.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 78' ' ' TRP . 77.1 mt -60.92 -36.03 78.23 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.139 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.527 HG22 HE21 ' A' ' 46' ' ' GLN . 20.2 t -59.05 -44.58 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.133 -179.806 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.614 ' ND2' ' CG2' ' A' ' 22' ' ' ILE . 23.1 m-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.895 0.378 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.527 HE21 HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 51.91 55.48 9.22 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 47' ' ' LEU . 51.0 mt -46.9 -51.02 17.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.775 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.55 -49.75 76.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.651 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.8 mm? -69.54 -41.42 75.96 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.152 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.54 -43.91 93.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.922 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -58.83 -47.69 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.482 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.2 -45.63 92.51 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -57.56 -55.38 35.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.8 tp -55.43 -50.21 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.58 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.19 -47.06 82.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 tpt85 -61.74 -31.53 71.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.769 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.404 ' O ' ' HG2' ' A' ' 60' ' ' MET . 95.2 m-70 -110.52 15.52 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.497 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.564 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.7 ptm180 -51.15 -36.26 39.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -55.69 -31.94 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.525 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.0 ptt? -58.23 -27.81 64.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.567 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.7 p -61.01 -27.19 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.542 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -71.66 -16.19 62.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 47.9 mttp -87.45 19.92 3.1 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.716 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.0 -49.38 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.092 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 62.02 4.07 1.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.709 ' O ' HD12 ' A' ' 70' ' ' ILE . 37.0 p -89.54 163.43 15.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -92.93 -66.26 0.94 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -63.75 -38.67 91.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 45.2 t0 -62.8 -45.13 94.08 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.117 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 66' ' ' SER . 56.4 mt -60.63 -43.76 95.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.157 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 67.5 mt -53.8 -40.25 66.17 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.949 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.429 ' O ' ' OE2' ' A' ' 76' ' ' GLU . 17.6 t-80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.154 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 14.6 mmmt -63.32 -52.84 60.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.215 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 74' ' ' LEU . 6.8 mp -57.13 -37.17 71.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.251 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.756 ' ND2' HE22 ' A' ' 30' ' ' GLN . 2.5 m120 -58.21 -47.71 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.357 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -65.87 -38.84 89.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.295 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.547 ' OE1' ' O ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -69.33 -40.15 77.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.024 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.564 ' CD1' HD13 ' A' ' 33' ' ' LEU . 1.3 t-105 -55.46 -49.91 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.984 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' OD1' HD11 ' A' ' 33' ' ' LEU . 55.6 m-20 -67.42 -41.08 85.43 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -86.8 5.14 38.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.825 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.558 ' OD2' ' O ' ' A' ' 78' ' ' TRP . 35.0 p30 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.227 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.826 0.346 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -77.68 144.2 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.393 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 p -88.33 160.08 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.141 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -53.75 -41.71 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.588 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 90.9 m-20 -66.13 -45.49 80.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.613 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.88 -39.82 94.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.406 0.622 . . . . 0.0 109.521 178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.502 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 5.9 t-105 -59.97 -46.09 90.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.589 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.54 ' N ' HD22 ' A' ' 15' ' ' ASN . 1.2 m120 -57.08 -37.7 72.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.586 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.6 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.91 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.215 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.502 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 60.4 tp -63.79 -36.85 85.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.232 178.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.547 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 44.8 mttt -58.09 -42.77 86.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.0 -40.6 98.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.456 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 77.2 m-20 -59.43 -44.83 92.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.909 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CE1' HD22 ' A' ' 74' ' ' LEU . 32.5 m-85 -65.28 -47.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG23 ' OD1' ' A' ' 45' ' ' ASN . 71.1 mt -58.39 -42.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -59.18 -46.08 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.537 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.37 -34.53 81.06 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.581 ' HA ' HD21 ' A' ' 28' ' ' ASN . 45.3 mm -71.63 -43.93 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.138 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.889 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.11 -28.1 60.11 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.551 -179.59 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -77.34 -38.53 50.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.235 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.581 HD21 ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -92.56 150.62 20.63 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 121.268 0.556 . . . . 0.0 111.046 -179.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 31' ' ' LYS . 77.9 tt0 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.186 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -48.0 -9.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.236 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 29' ' ' GLU . 42.4 tttt -53.48 -32.36 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.21 -37.36 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.515 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 81.9 mt -63.29 -36.94 85.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.033 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -41.1 90.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.194 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.151 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.58 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 2.5 p-10 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.563 0.22 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.58 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 15.6 pt20 49.81 58.09 5.82 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.314 0.578 . . . . 0.0 110.701 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.0 mt -45.33 -52.37 9.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.568 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.94 -49.25 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.5 mp -65.57 -40.82 93.19 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.037 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 50' ' ' LEU . 6.3 tt -59.06 -44.62 91.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.61 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 64.6 m-70 -61.15 -48.54 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.09 -45.31 93.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.048 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -57.41 -52.67 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.317 0.579 . . . . 0.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.82 -51.95 65.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.283 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.03 -42.67 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.561 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -61.61 -32.44 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 111.58 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 47.8 m-70 -115.48 21.73 13.78 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.264 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.0 ptm180 -55.66 -35.77 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 60' ' ' MET . 25.6 p-10 -59.5 -26.76 65.56 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.738 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.3 ptt? -58.95 -28.11 65.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.384 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.5 p -59.45 -29.77 68.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.572 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.349 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 3.8 mtpm? -85.3 21.7 1.66 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.738 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.68 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 178.096 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 60.73 5.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.234 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.55 ' O ' HD12 ' A' ' 70' ' ' ILE . 60.2 p -90.03 173.74 8.03 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' NZ ' ' HB3' ' A' ' 20' ' ' ASP . 19.2 tptt -101.4 -66.48 0.91 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 111.914 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 9.2 pt-20 -62.41 -41.83 98.98 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 68' ' ' GLU . 36.8 t0 -60.13 -45.76 91.94 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.666 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 66' ' ' SER . 45.8 mt -58.75 -44.49 90.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.813 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.573 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 66.4 mt -57.08 -39.61 75.32 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.062 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.619 ' NE2' ' OE2' ' A' ' 76' ' ' GLU . 47.3 t-80 -60.35 -47.18 87.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.6 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.606 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.8 mptp? -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.774 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.574 HD22 ' CE1' ' A' ' 21' ' ' PHE . 6.6 mp -58.81 -35.38 72.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.573 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 18.1 m120 -55.59 -51.07 68.37 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.276 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.619 ' OE2' ' NE2' ' A' ' 72' ' ' HIS . 9.0 mp0 -67.32 -35.75 80.07 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.606 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 9.6 mp0 -72.89 -38.48 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.012 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -59.29 -45.13 92.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.228 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.515 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 1.7 m120 -63.39 -42.19 98.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -86.07 1.03 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.511 -179.771 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 121.109 0.48 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -75.86 153.1 37.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.503 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.1 p -83.07 159.7 22.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.704 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -54.42 -40.65 68.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.251 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.9 -45.97 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.045 0.45 . . . . 0.0 110.253 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.6 -38.55 87.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.707 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.479 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 2.2 t-105 -61.46 -47.54 85.24 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.008 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -55.48 -40.94 72.31 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.085 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -64.22 -46.24 84.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.714 HD11 ' CE1' ' A' ' 21' ' ' PHE . 26.6 tp -63.66 -38.11 89.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.81 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.521 ' HD2' ' ND1' ' A' ' 51' ' ' HIS . 8.6 mtmp? -61.51 -45.42 94.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.088 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -61.5 -40.84 96.05 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.728 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.49 -47.57 83.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.449 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.714 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.0 m-30 -61.47 -43.75 98.31 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.51 HG23 HD22 ' A' ' 45' ' ' ASN . 82.5 mt -57.56 -48.49 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.963 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 16.9 m -56.47 -43.76 79.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.416 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.35 -34.95 87.12 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.45 ' HA ' HD13 ' A' ' 25' ' ' ILE . 29.1 mm -69.89 -42.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 111.037 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.92 -26.73 49.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 23' ' ' SER . 57.5 mm-40 -72.42 -32.89 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.642 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -91.38 153.81 19.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 111.437 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.67 -26.94 65.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 32' ' ' ASP . 96.5 mt-30 -56.56 -22.39 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.59 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.591 ' O ' HG12 ' A' ' 34' ' ' VAL . 50.4 pttt -39.97 -28.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.153 0.501 . . . . 0.0 110.592 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' GLN . 95.8 m-20 -58.42 -33.7 69.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.1 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OD1' ' A' ' 79' ' ' ASN . 64.8 mt -62.8 -43.98 97.38 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.158 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.4 p -70.97 -30.51 41.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.737 179.656 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.51 HD22 HG23 ' A' ' 22' ' ' ILE . 79.7 m-20 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.978 0.418 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.539 ' O ' ' C ' ' A' ' 47' ' ' LEU . 20.6 mt-30 62.31 42.25 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.987 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.673 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 54.5 mt -31.75 -54.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.113 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.16 -58.81 6.41 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -64.62 -39.84 94.42 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.966 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 50' ' ' LEU . 3.3 tt -58.23 -43.61 87.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 9.3 m-70 -57.57 -48.03 80.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.815 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -59.6 -46.38 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.513 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.572 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 56.3 t90 -58.53 -55.04 40.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.731 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.9 tp -55.4 -48.98 73.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.121 -178.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -56.04 -46.64 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.682 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.04 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.208 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 53' ' ' TRP . 29.8 m80 -104.51 9.4 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.358 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 54' ' ' LEU . 12.1 ptm180 -54.24 -36.69 63.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.954 0.407 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.97 -33.72 70.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.762 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.744 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.6 ppp? -57.84 -27.21 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.332 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 60' ' ' MET . 8.6 p -61.63 -27.79 68.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -71.98 -14.17 61.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 11.4 mttp -87.19 20.35 2.79 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.864 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.744 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.91 -53.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.13 178.542 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 65' ' ' LYS . 6.6 ttpm? 52.69 10.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.532 ' N ' ' C ' ' A' ' 64' ' ' TRP . 16.6 p -86.59 10.41 15.56 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.078 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.96 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' SER . 83.8 tt0 -57.52 -39.3 76.25 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.795 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.649 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -61.68 -41.19 97.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.687 HG22 HD13 ' A' ' 74' ' ' LEU . 33.9 mt -59.86 -44.03 93.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.451 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 71' ' ' LEU . 57.9 mt -56.76 -41.47 77.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.111 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -62.38 -43.63 98.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.899 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.649 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 42.7 mmtm -62.98 -51.82 65.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.687 HD13 HG22 ' A' ' 70' ' ' ILE . 8.1 mp -55.55 -42.37 74.56 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.493 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.52 -45.47 88.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.369 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.97 -40.62 96.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.091 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HA ' ' HZ2' ' A' ' 80' ' ' LYS . 8.8 pt20 -76.57 -32.89 58.43 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.194 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -54.62 -44.32 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' OD1' ' CD1' ' A' ' 33' ' ' LEU . 71.8 m-20 -70.46 -41.48 72.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.519 ' HB2' ' HZ2' ' A' ' 80' ' ' LYS . 10.2 mtmp? -82.67 1.9 36.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.102 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.858 -179.561 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.12 136.94 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.358 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.9 p -81.28 159.07 24.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.085 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.16 -40.2 70.38 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.094 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -64.21 -43.88 93.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -69.01 -37.5 78.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.324 0.583 . . . . 0.0 109.619 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.472 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -63.61 -47.32 81.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.348 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -54.4 -40.69 68.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.56 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -62.9 -42.46 99.78 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HG ' ' CE2' ' A' ' 21' ' ' PHE . 25.2 tp -62.28 -37.79 86.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.352 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 22.5 mttm -60.22 -45.24 93.87 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.519 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 23' ' ' SER . 94.0 mm-40 -60.24 -39.86 88.21 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.61 -43.56 80.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.641 ' CE1' ' CD2' ' A' ' 74' ' ' LEU . 30.3 m-85 -69.06 -53.4 20.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.017 0.437 . . . . 0.0 110.326 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.5 mt -59.38 -38.36 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.98 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 17.6 t -60.66 -49.43 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.051 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.59 -21.56 74.69 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.404 ' CG2' HG11 ' A' ' 34' ' ' VAL . 4.3 mm -73.56 -41.45 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.419 . . . . 0.0 110.71 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 26' ' ' LEU . 1.5 pp -85.7 -24.77 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.89 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' N ' HD12 ' A' ' 26' ' ' LEU . 53.4 tp10 -74.55 -38.39 62.74 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.474 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.416 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 51.1 p30 -91.86 162.12 14.56 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.731 0.3 . . . . 0.0 110.973 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.5 tt0 -57.91 -27.4 63.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.996 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.733 HE22 ' CB ' ' A' ' 75' ' ' ASN . 43.2 mt-30 -51.49 -7.57 0.05 OUTLIER 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.836 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 29' ' ' GLU . 41.9 tttm -55.68 -37.74 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.353 0.596 . . . . 0.0 109.727 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 60.1 t0 -61.0 -36.32 79.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.703 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -65.76 -46.09 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.601 HG23 ' NE2' ' A' ' 46' ' ' GLN . 2.7 p -64.81 -35.54 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.181 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.562 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.4 m120 . . . . . 0 C--O 1.223 -0.328 0 CA-C-O 119.523 -0.275 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.661 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 58.52 44.76 17.38 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.495 0.664 . . . . 0.0 111.002 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 2.6 mt -43.75 -53.93 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.72 -51.44 69.78 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 49' ' ' LEU . 79.6 mt -65.13 -38.22 89.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.544 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -59.07 -44.59 91.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.956 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 43.3 m-70 -59.19 -49.19 78.82 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.601 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -59.5 -46.83 87.71 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -58.0 -53.57 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.502 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.637 HD11 ' CE2' ' A' ' 21' ' ' PHE . 13.8 tp -58.23 -52.32 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.113 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -59.65 -43.54 93.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.077 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.472 ' O ' ' SD ' ' A' ' 60' ' ' MET . 94.8 m-70 -109.39 17.93 20.95 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.966 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.65 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.2 ptm180 -56.06 -33.31 64.9 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.733 ' OD1' ' N ' ' A' ' 60' ' ' MET . 35.9 p30 -56.31 -27.68 56.35 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.733 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 9.5 ptt? -59.58 -30.17 68.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.132 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.7 p -66.15 -31.06 71.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.742 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.53 -14.96 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -89.08 -75.22 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.217 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.608 ' O ' ' C ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -84.14 14.18 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.118 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.608 ' C ' ' O ' ' A' ' 64' ' ' TRP . 17.3 pttm -13.12 82.0 0.0 OUTLIER 'General case' 0 C--O 1.231 0.13 0 O-C-N 123.539 0.524 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 64' ' ' TRP . 16.4 p -153.66 177.89 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.453 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -107.73 -76.26 0.62 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -63.26 -35.26 79.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 110.512 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 80.9 m-20 -60.69 -46.49 90.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.377 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 66' ' ' SER . 29.8 mt -59.38 -38.44 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.803 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 34.0 mt -55.47 -41.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.033 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.72 -46.95 88.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.939 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 1.1 mptp? -62.76 -52.51 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.368 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.641 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 4.8 mp -57.98 -36.29 72.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.335 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.733 ' CB ' HE22 ' A' ' 30' ' ' GLN . 94.4 m-20 -56.91 -48.48 78.13 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.157 0.503 . . . . 0.0 110.026 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.24 -38.97 92.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.201 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.47 -41.65 79.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.598 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.423 ' HE1' ' HA ' ' A' ' 34' ' ' VAL . 2.3 t-105 -54.83 -45.11 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.785 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.634 ' N ' HD22 ' A' ' 79' ' ' ASN . 1.6 m120 -70.93 -37.02 72.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -60.17 -43.62 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.385 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.601 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.937 0.399 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.403 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 60.4 m-85 -77.24 147.68 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.424 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 68.1 p -81.39 157.53 24.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.201 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -51.5 -42.26 61.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.826 0.346 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.741 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.1 m-20 -67.2 -48.13 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.141 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.424 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 98.7 mt-10 -64.82 -37.43 87.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 109.661 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.564 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 6.1 t-105 -62.16 -46.15 90.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.744 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 3.2 m120 -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.752 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.741 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.1 mp0 -64.45 -43.52 94.01 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.003 0.43 . . . . 0.0 109.926 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.52 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.8 tp -61.07 -39.74 91.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.583 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.1 mttt -59.57 -44.52 93.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.685 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 15' ' ' ASN . 94.3 mm-40 -61.72 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.49 -45.78 92.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.131 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.66 -45.12 94.25 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.197 0.523 . . . . 0.0 109.637 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.757 HG23 ' CB ' ' A' ' 45' ' ' ASN . 78.3 mt -57.5 -49.8 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 t -54.46 -40.6 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.29 83.72 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.87 -34.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -89.48 -28.52 19.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.466 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.6 -37.17 56.88 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.739 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 38.3 t-20 -89.46 157.84 17.95 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.446 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 68.3 tt0 -58.81 -22.47 58.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 32' ' ' ASP . 64.3 mm-40 -52.13 -19.46 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.12 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' O ' HG12 ' A' ' 34' ' ' VAL . 25.0 ttpp -44.73 -21.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' GLN . 85.8 m-20 -59.21 -35.85 74.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.981 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.921 HD21 ' OD1' ' A' ' 79' ' ' ASN . 8.0 mp -54.71 -54.13 45.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 45' ' ' ASN . 4.5 p -63.49 -40.0 87.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.297 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.036 179.87 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.757 ' CB ' HG23 ' A' ' 22' ' ' ILE . 16.3 m120 . . . . . 0 C--O 1.232 0.164 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.429 ' HG3' HG23 ' A' ' 34' ' ' VAL . 16.4 mt-30 66.99 38.03 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.3 mt -38.25 -61.18 0.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -58.26 -52.2 66.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -69.13 -41.62 77.11 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.309 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.0 tt -58.17 -44.65 88.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.477 ' CG ' ' HD3' ' A' ' 18' ' ' LYS . 17.6 m170 -59.4 -50.0 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.599 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -59.16 -45.91 89.76 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.425 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -57.63 -55.88 29.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 tp -54.59 -48.72 71.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.564 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 94.4 m-20 -56.42 -41.85 77.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.391 -179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -62.45 -31.03 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.909 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -109.96 22.65 15.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.567 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -55.08 -34.79 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.351 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.06 -29.61 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.334 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.2 ptt? -55.42 -34.87 64.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.362 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -63.65 -32.39 73.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 109.69 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -73.12 -21.43 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -74.91 -53.15 9.53 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.257 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.717 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -92.61 -59.55 2.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.339 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 64' ' ' TRP . 6.2 tttp 97.58 -27.41 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.787 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 33.1 p -86.75 130.79 34.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.821 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 70' ' ' ILE . 79.3 tttt -59.87 -50.88 72.05 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -60.47 -43.27 97.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.86 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 55.6 t0 -60.49 -44.73 95.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.118 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.489 ' O ' HD13 ' A' ' 74' ' ' LEU . 47.7 mt -57.76 -46.77 86.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.753 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.455 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 71.7 mt -55.44 -42.55 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.406 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 37.1 m-70 -59.9 -43.7 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.49 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 14.8 mmtm -63.88 -49.24 73.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 70' ' ' ILE . 3.8 mp -57.7 -42.67 84.19 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.479 ' N ' HD22 ' A' ' 75' ' ' ASN . 2.6 m120 -56.06 -49.29 74.16 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.257 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 72' ' ' HIS . 67.3 mm-40 -67.91 -40.65 83.37 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ASP . 72.2 tp60 -72.64 -46.09 55.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.158 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.467 ' CD1' HD23 ' A' ' 33' ' ' LEU . 2.2 t90 -54.23 -43.39 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.921 ' OD1' HD21 ' A' ' 33' ' ' LEU . 96.6 m-20 -58.85 -46.23 88.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.063 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -85.74 0.16 53.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' GLN . 48.7 t0 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.107 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.933 0.396 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -76.44 143.08 40.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -84.22 161.62 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 87.1 m-20 -52.37 -42.43 63.96 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.079 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.47 -47.7 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 98.9 mt-10 -65.3 -38.97 91.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 109.866 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.448 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.5 t-105 -61.28 -45.56 93.98 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.668 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.605 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.6 m120 -57.85 -38.65 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.278 0.561 . . . . 0.0 110.071 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 58.9 mt-30 -63.38 -43.59 97.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.285 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.28 -40.25 93.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG2' HD22 ' A' ' 54' ' ' LEU . 26.5 mttm -57.74 -44.03 85.76 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.677 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 3.5 mp0 -63.82 -40.52 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.741 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.539 ' CB ' ' NZ ' ' A' ' 67' ' ' LYS . 51.4 m-20 -62.2 -42.88 99.7 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.815 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.609 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.9 m-30 -64.12 -48.32 76.56 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.69 HG23 ' CB ' ' A' ' 45' ' ' ASN . 64.3 mt -58.77 -50.0 80.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.332 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.401 ' HA ' HD23 ' A' ' 26' ' ' LEU . 66.5 m -53.89 -42.89 69.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.117 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.12 -34.1 86.7 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.503 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 87.2 mt -75.4 -36.8 36.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.726 0.298 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.871 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.23 -26.6 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 110.17 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.576 ' OE1' ' O ' ' A' ' 27' ' ' GLU . 3.3 tm-20 -73.43 -38.34 65.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.712 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.503 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 53.7 p30 -94.54 171.28 8.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.605 0.717 . . . . 0.0 112.157 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -66.26 -21.83 66.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.065 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.492 ' CD ' ' ND2' ' A' ' 28' ' ' ASN . 78.0 mt-30 -52.06 -17.34 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.818 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.541 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.0 ttpt -49.25 -23.05 1.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.724 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 p-10 -60.72 -34.13 73.93 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 78' ' ' TRP . 10.7 mp -51.78 -54.09 32.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.794 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.718 HG23 ' HG3' ' A' ' 46' ' ' GLN . 2.6 p -64.88 -34.8 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.69 ' CB ' HG23 ' A' ' 22' ' ' ILE . 16.8 m120 . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 120.553 0.216 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HG3' HG23 ' A' ' 34' ' ' VAL . 20.5 mt-30 64.45 41.88 5.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 8.9 mt -50.76 -56.46 11.95 Favored 'General case' 0 N--CA 1.461 0.111 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -55.14 -48.3 73.88 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.668 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.665 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -68.46 -38.11 80.79 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.593 178.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.491 HD21 ' CZ3' ' A' ' 78' ' ' TRP . 8.0 mt -59.4 -46.58 88.28 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.234 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 93.4 m-70 -57.55 -49.28 76.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -63.8 -52.92 58.04 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.614 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -59.97 -56.34 22.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.492 HD22 ' HG2' ' A' ' 18' ' ' LYS . 12.8 tp -56.9 -50.56 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.001 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 91.7 m-20 -57.35 -40.26 77.69 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.182 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 57.7 ttp180 -63.76 -31.83 73.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.406 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CE1' ' HE ' ' A' ' 56' ' ' ARG . 63.3 m-70 -112.68 20.82 16.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.192 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.647 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.8 ptm180 -53.82 -34.46 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.707 ' OD1' ' N ' ' A' ' 60' ' ' MET . 28.0 p30 -60.33 -28.65 68.31 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.213 0.53 . . . . 0.0 111.074 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.799 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 2.1 ptt? -55.12 -35.92 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.47 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.647 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.3 p -61.82 -34.56 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.996 0.426 . . . . 0.0 110.757 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 76.9 mm-40 -76.01 -18.33 59.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -76.74 -55.25 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.967 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.799 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -83.65 -42.0 17.16 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.141 179.445 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.5 tttm 64.99 41.36 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.942 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' ILE . 11.0 p -150.77 122.82 8.22 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.916 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.539 ' NZ ' ' CB ' ' A' ' 20' ' ' ASP . 32.8 tttp -58.92 -60.26 4.14 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -61.94 -38.14 87.34 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -177.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -63.85 -43.1 97.15 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.195 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 64' ' ' TRP . 92.7 mt -60.55 -41.73 88.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.952 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.609 HD21 ' CD1' ' A' ' 21' ' ' PHE . 50.6 mt -58.12 -40.64 81.76 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.303 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -57.51 -44.56 85.12 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.205 0.526 . . . . 0.0 109.784 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.476 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.1 mmtt -62.11 -47.26 85.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.969 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 70' ' ' ILE . 7.0 mp -57.94 -40.88 81.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -56.13 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.878 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -66.6 -40.42 88.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.121 0.486 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.739 ' O ' ' N ' ' A' ' 81' ' ' ASP . 97.8 mt-30 -70.58 -38.41 74.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.269 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.613 ' CD1' HD23 ' A' ' 33' ' ' LEU . 2.0 t-105 -57.11 -43.75 82.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.464 ' ND2' HD21 ' A' ' 33' ' ' LEU . 25.4 m120 -65.1 -37.76 88.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -98.42 -7.15 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.376 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 77' ' ' GLN . 17.0 t0 . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.276 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.491 ' HZ3' ' NE ' ' A' ' 58' ' ' ARG . 13.7 mtpt . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -76.75 150.8 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 111.841 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.0 p -83.47 161.14 21.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.724 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -56.23 -43.53 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.611 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.5 m-20 -63.35 -46.27 87.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.164 0.507 . . . . 0.0 110.464 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.02 -40.83 97.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.594 0.712 . . . . 0.0 109.453 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.505 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -62.16 -45.87 91.49 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.598 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.572 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 2.6 m120 -55.29 -37.52 67.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.218 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.611 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 6.2 mp0 -64.61 -42.08 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.811 HD11 ' CE1' ' A' ' 21' ' ' PHE . 45.8 tp -62.36 -37.4 85.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.289 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 30.6 mttt -61.49 -48.13 82.49 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.572 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.4 mp0 -59.95 -43.75 94.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.914 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -60.99 -44.27 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.811 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -65.98 -47.31 74.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.158 0.504 . . . . 0.0 109.8 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 ' NE2' ' A' ' 19' ' ' GLN . 73.3 mt -57.33 -49.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.424 ' HA ' HD23 ' A' ' 26' ' ' LEU . 47.4 t -58.26 -44.08 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.729 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.26 90.12 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.672 HD13 HD21 ' A' ' 28' ' ' ASN . 24.2 mm -70.37 -37.6 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.888 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.77 -26.47 49.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.516 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 23' ' ' SER . 75.5 mm-40 -78.02 -42.94 30.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.215 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.672 HD21 HD13 ' A' ' 25' ' ' ILE . 55.8 p30 -77.46 170.25 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.652 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.14 -29.0 70.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.458 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.643 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -50.81 -15.96 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.389 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.9 pttm -53.65 -40.55 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.032 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 55.7 p30 -66.65 -34.26 77.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.681 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 7.9 tt -63.11 -42.18 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.631 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -77.43 -19.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.001 -179.714 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.758 -179.474 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.549 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 75.5 m-20 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 120.718 0.294 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.58 HE21 ' HB2' ' A' ' 49' ' ' LEU . 10.6 pt20 47.31 58.32 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.386 0.612 . . . . 0.0 109.753 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -54.35 -46.45 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.29 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.34 -50.72 72.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.791 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.733 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.8 mp -68.52 -40.16 80.9 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.986 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.5 tt -58.24 -44.82 88.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.527 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 30.4 m170 -59.93 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.269 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -61.67 -48.04 82.63 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.041 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -56.72 -52.93 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 tp -56.98 -52.7 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.08 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -55.88 -41.26 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.171 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' NH2' ' NE2' ' A' ' 57' ' ' HIS . 55.8 ttp85 -60.31 -33.41 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.296 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.478 ' NE2' ' NH2' ' A' ' 56' ' ' ARG . 83.4 m-70 -114.84 21.24 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.473 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 13.5 ptm180 -53.31 -34.43 57.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.093 0.473 . . . . 0.0 110.454 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.66 -29.14 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.722 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 5.3 ptt? -59.91 -27.36 66.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.237 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 15.7 p -62.09 -28.58 69.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.81 -11.79 60.49 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.486 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 5.2 mtpm? -85.86 18.45 2.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.722 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.52 -45.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.358 178.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt 70.9 -19.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.51 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.526 ' H ' ' C ' ' A' ' 64' ' ' TRP . 97.4 p -89.07 138.41 31.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.646 ' NZ ' HD11 ' A' ' 71' ' ' LEU . 47.2 tttm -66.07 -51.49 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.256 -0.884 . . . . 0.0 113.214 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -60.1 -37.82 81.12 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.927 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.419 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 81.1 m-20 -64.31 -47.46 79.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.774 -0.77 . . . . 0.0 109.743 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.519 HG12 ' CD1' ' A' ' 64' ' ' TRP . 88.2 mt -59.82 -43.57 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.361 -0.535 . . . . 0.0 110.871 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' NZ ' ' A' ' 67' ' ' LYS . 73.1 mt -53.81 -42.23 68.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.51 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.541 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 7.0 mptt -64.4 -50.88 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.6 mp -57.28 -39.6 76.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.747 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -58.01 -47.09 84.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.07 -41.72 97.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.621 ' O ' ' N ' ' A' ' 81' ' ' ASP . 76.8 mt-30 -68.77 -43.2 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -45.13 77.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.219 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.494 ' N ' HD22 ' A' ' 79' ' ' ASN . 2.0 m120 -66.4 -42.76 87.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 81' ' ' ASP . 67.9 mttt -89.17 -4.8 58.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.531 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 77' ' ' GLN . 41.8 p30 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.6 mttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -75.38 151.82 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 111.419 -179.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.2 p -87.53 160.42 18.24 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.173 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.02 -42.44 72.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.202 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.6 -47.16 82.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 110.599 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 77.2 mm-40 -65.49 -39.24 91.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.027 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.433 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 7.5 t-105 -62.48 -43.8 97.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.741 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -55.43 -43.73 75.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.798 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 50.2 mt-30 -60.1 -39.76 87.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.677 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.6 -39.28 91.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.821 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.575 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 30.3 mttt -58.27 -42.11 85.77 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 179.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -61.26 -38.44 86.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.1 -46.34 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.103 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.531 ' CE1' HD22 ' A' ' 74' ' ' LEU . 37.4 m-85 -64.07 -46.56 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.879 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.79 HG23 HD22 ' A' ' 45' ' ' ASN . 94.9 mt -57.62 -50.93 75.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 m -56.76 -38.54 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.188 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.46 -35.49 66.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.436 HD12 HE21 ' A' ' 30' ' ' GLN . 8.7 mm -71.62 -41.09 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.372 -0.414 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.943 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -77.04 -28.1 54.67 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.22 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -79.23 -33.51 43.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.661 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 56.1 t-20 -100.13 156.68 17.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.454 0.645 . . . . 0.0 111.534 -179.084 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.661 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 22.4 tp10 -55.2 -21.18 12.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.555 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.436 HE21 HD12 ' A' ' 25' ' ' ILE . 27.6 mt-30 -48.41 -11.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 34' ' ' VAL . 16.8 pttp -56.78 -34.35 67.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.507 . . . . 0.0 110.186 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.16 -42.93 99.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.391 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' ' 33' ' ' LEU . 5.0 mp -66.9 -37.06 83.66 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.258 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -65.01 -38.0 81.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.111 -179.823 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 179.988 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.79 HD22 HG23 ' A' ' 22' ' ' ILE . 45.8 m-80 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.524 HE21 ' HB2' ' A' ' 49' ' ' LEU . 19.0 pt20 46.84 65.7 1.16 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.674 0.75 . . . . 0.0 110.148 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 15.2 mt -53.58 -47.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.795 -179.422 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -58.78 -47.36 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.527 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.524 ' HB2' HE21 ' A' ' 46' ' ' GLN . 57.9 mt -69.42 -42.87 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -44.33 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.044 -179.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.575 ' CG ' ' HZ2' ' A' ' 18' ' ' LYS . 11.9 m170 -59.23 -48.89 79.92 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -59.95 -45.85 91.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.429 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 43.0 t90 -57.79 -57.49 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 110.641 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ARG . 9.2 tp -56.85 -50.91 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.091 -178.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -55.65 -41.87 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.02 -31.2 71.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.575 ' O ' ' SD ' ' A' ' 60' ' ' MET . 97.7 m-70 -116.59 18.99 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.749 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 ptm180 -55.02 -34.64 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.574 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 59.0 t0 -55.61 -26.13 42.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 111.113 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.731 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.8 ptt? -60.39 -32.68 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 62' ' ' GLU . 14.6 p -59.52 -30.24 68.44 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 110.091 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.8 mt-10 -74.94 -13.47 60.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.296 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -85.95 -62.0 1.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.731 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -82.45 -46.63 13.23 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.89 -179.052 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp 67.09 -14.69 0.17 Allowed 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.341 0.4 . . . . 0.0 111.528 -178.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 64' ' ' TRP . 34.5 p -92.39 136.29 33.32 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.752 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -65.76 -56.16 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.13 -36.29 77.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.673 -178.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 52.9 t0 -64.7 -50.91 65.09 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.695 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.529 HG12 ' CD1' ' A' ' 64' ' ' TRP . 25.2 mt -59.23 -43.41 89.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.523 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.12 -40.75 74.21 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.675 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -61.71 -45.69 92.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.512 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 18.1 mmmt -61.68 -50.75 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.721 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.531 HD22 ' CE1' ' A' ' 21' ' ' PHE . 6.0 mp -58.65 -38.93 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.582 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 79.1 m-20 -55.47 -47.13 76.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.43 -40.82 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.66 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.644 HE21 ' NZ ' ' A' ' 80' ' ' LYS . 1.2 tp60 -68.61 -44.0 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.552 -179.167 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.12 -42.39 85.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.239 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -68.08 -30.9 70.19 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.156 0.503 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.644 ' NZ ' HE21 ' A' ' 77' ' ' GLN . 13.8 ttpt -91.9 -6.97 50.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.087 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' GLN . 79.3 m-20 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.584 -179.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt . . . . . 0 C--O 1.232 0.143 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -76.4 149.13 36.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.439 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -80.21 157.2 26.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.406 -178.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -53.36 -43.04 67.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.008 -179.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.64 -45.89 88.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.49 -37.63 85.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.171 179.31 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.592 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 8.1 t-105 -62.33 -45.9 91.13 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.384 179.567 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.592 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 80.2 m-20 -56.66 -39.56 73.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.192 0.52 . . . . 0.0 110.209 179.317 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.592 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 54.1 tp -60.8 -40.56 93.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.651 179.172 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 27.9 mttt -58.67 -44.18 90.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 110.429 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.711 ' NE2' HD12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -61.97 -41.78 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.511 -179.619 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -58.9 -42.44 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.02 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 71' ' ' LEU . 4.9 m-30 -66.26 -45.43 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.711 HD12 ' NE2' ' A' ' 19' ' ' GLN . 66.6 mt -57.93 -48.94 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.438 ' HA ' HD23 ' A' ' 26' ' ' LEU . 8.4 t -57.13 -43.09 82.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.435 179.261 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -37.18 92.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.43 ' HA ' HD13 ' A' ' 25' ' ' ILE . 28.1 mm -71.03 -44.52 75.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.208 -0.294 . . . . 0.0 110.208 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.818 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -71.19 -30.18 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.049 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 50.7 tp10 -76.25 -25.2 54.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.119 178.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -103.93 166.79 10.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.81 -26.93 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.03 178.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -53.21 -15.35 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -34.28 66.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -66.67 -42.26 86.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.776 ' CD2' HD22 ' A' ' 79' ' ' ASN . 9.3 mp -61.41 -36.76 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.248 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -62.35 -45.71 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.839 179.265 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.676 ' CG ' HG23 ' A' ' 22' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.52 -0.208 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.592 HE21 ' HB2' ' A' ' 49' ' ' LEU . 4.2 pt20 46.74 58.28 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.767 0.794 . . . . 0.0 109.053 -178.605 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.699 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 5.7 mt -43.12 -53.95 4.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.796 -178.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.58 -51.17 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.592 ' HB2' HE21 ' A' ' 46' ' ' GLN . 3.5 mt -65.97 -41.32 91.33 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.828 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -58.59 -44.09 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.771 -179.294 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.699 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 18.6 m170 -58.23 -47.95 81.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.227 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -60.29 -47.84 84.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.01 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -60.07 -52.33 65.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.307 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -56.73 -51.25 69.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 70.2 m-20 -55.16 -42.93 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.401 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -61.86 -28.52 69.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.468 -179.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 60' ' ' MET . 98.6 m-70 -104.19 15.9 27.39 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.786 0.327 . . . . 0.0 111.658 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.665 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.0 ptm180 -59.89 -35.82 75.65 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.201 -179.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.49 -50.67 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.802 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.752 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.1 ptm -62.97 -31.73 72.91 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.327 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.9 p -64.75 -27.89 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.443 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.18 -20.4 64.86 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 60' ' ' MET . 2.3 pttt -81.05 -66.28 0.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.785 -178.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.752 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -69.28 -32.69 72.02 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.289 -178.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp 47.06 -1.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.651 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.682 ' H ' ' C ' ' A' ' 64' ' ' TRP . 8.8 p -86.52 131.74 34.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.728 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.561 ' O ' HD23 ' A' ' 71' ' ' LEU . 34.3 tttm -63.25 -47.68 81.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.373 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -63.18 -41.56 99.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.941 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 69.8 m-20 -62.94 -52.03 64.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.576 HG22 HD13 ' A' ' 74' ' ' LEU . 71.5 mt -62.36 -45.12 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -179.129 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -57.13 -40.35 76.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.143 -179.572 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.614 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 78.2 t60 -61.51 -45.43 94.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.657 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 3.2 mptt -61.11 -47.97 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.717 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 HG22 ' A' ' 70' ' ' ILE . 8.1 mp -56.6 -46.25 80.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.279 179.761 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.513 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 1.9 m120 -54.21 -47.07 72.53 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.661 -178.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.614 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.6 mp0 -70.4 -38.52 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -69.66 -41.91 74.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.441 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.5 t-105 -55.42 -40.24 71.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.294 178.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.776 HD22 ' CD2' ' A' ' 33' ' ' LEU . 24.3 m120 -68.02 -44.42 76.52 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 179.469 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -60.89 -30.04 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.188 179.562 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.0 mttm . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.993 0.425 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -77.96 142.8 38.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.116 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.1 p -84.04 160.48 20.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.822 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -51.13 -43.39 61.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.053 -179.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 77.3 m-20 -68.06 -45.04 74.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.08 -38.12 87.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.462 0.649 . . . . 0.0 109.28 178.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.1 t-105 -63.63 -48.01 79.01 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.646 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 94.1 m-20 -55.92 -41.74 75.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -60.89 -42.42 97.95 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.437 HD11 ' CE1' ' A' ' 21' ' ' PHE . 44.0 tp -58.75 -40.49 83.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.299 179.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 21.4 mttm -60.39 -45.09 94.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.646 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -58.65 -43.82 89.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.067 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.09 -42.79 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.47 ' HZ ' HG21 ' A' ' 70' ' ' ILE . 4.4 m-30 -62.4 -50.22 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 109.443 179.319 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.548 HG23 ' OD1' ' A' ' 45' ' ' ASN . 85.5 mt -58.61 -47.46 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.617 179.035 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' GLU . 22.9 t -56.46 -44.51 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.202 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.01 -31.95 79.41 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.952 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.538 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 62.8 mt -73.71 -26.97 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.284 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.044 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -90.14 -27.21 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.213 178.483 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' SER . 45.3 tp10 -74.72 -46.28 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.765 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.33 162.44 22.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.959 0.409 . . . . 0.0 111.249 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.36 -17.89 23.57 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.897 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.819 HE22 ' ND2' ' A' ' 75' ' ' ASN . 92.9 mt-30 -57.43 -18.67 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.932 -178.667 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.0 pttt -52.8 -28.55 23.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -53.69 -33.08 54.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 111.546 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.18 -38.84 68.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.852 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.7 p -57.85 -40.32 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.659 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.755 0.312 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 59.7 51.36 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.607 179.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.705 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 36.8 mt -39.47 -56.02 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -58.42 -51.6 69.15 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.6 -36.04 75.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.658 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -46.41 90.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.566 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.705 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 81.7 m-70 -57.9 -48.99 78.25 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.784 0.326 . . . . 0.0 110.616 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.24 -50.25 72.49 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -57.26 -54.17 49.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.214 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.47 -51.33 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.587 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 59.6 m-20 -56.46 -39.27 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.635 -179.211 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.433 ' HD2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -67.04 -32.11 73.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 -179.677 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.513 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 24.5 m-70 -110.47 18.54 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.365 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.559 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.2 ptm180 -54.73 -34.37 62.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.25 179.496 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.65 -36.25 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.694 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.7 ptt? -55.6 -28.51 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.103 -179.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.9 p -60.99 -27.25 68.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.428 -179.506 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.01 -13.18 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.4 mmtt -86.49 17.3 3.9 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.694 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.11 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.208 179.201 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 51.39 14.43 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.313 -178.292 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' TRP . 55.2 p -89.95 -161.81 0.82 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.426 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.48 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 13.4 tttp -132.42 -65.14 0.74 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.616 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 71' ' ' LEU . 95.9 mt-10 -60.9 -38.67 86.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.623 -178.644 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 77.0 m-20 -63.62 -44.68 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.995 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.64 HG22 HD13 ' A' ' 74' ' ' LEU . 71.5 mt -58.34 -40.41 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.778 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 89.1 mt -56.94 -42.27 79.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.758 179.256 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.81 -43.1 98.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 110.149 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 77' ' ' GLN . 17.4 mmmt -63.21 -53.38 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 -179.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.64 HD13 HG22 ' A' ' 70' ' ' ILE . 7.9 mp -57.15 -38.58 73.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.606 -179.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.819 ' ND2' HE22 ' A' ' 30' ' ' GLN . 74.1 m-20 -57.84 -46.17 85.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.217 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -64.45 -40.63 96.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.994 179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.607 ' O ' ' N ' ' A' ' 81' ' ' ASP . 99.3 mm-40 -72.64 -38.83 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.874 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.538 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 3.0 t-105 -53.94 -47.13 71.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.875 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -69.5 -34.59 74.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.992 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -84.97 -7.88 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.936 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 77' ' ' GLN . 88.3 m-20 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.581 ' HD3' HH12 ' A' ' 58' ' ' ARG . 10.7 mttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.428 0.632 . . . . 0.0 111.894 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -80.1 144.11 33.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.239 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.3 p -84.27 158.54 21.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.438 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.25 -42.2 69.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.054 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.416 ' C ' HE21 ' A' ' 16' ' ' GLN . 29.1 m-20 -65.72 -42.54 90.95 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.949 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 67.3 mm-40 -66.79 -38.07 85.81 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.483 178.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.415 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 t-105 -62.75 -48.11 80.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.068 -179.737 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -57.93 -38.79 76.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.062 0.458 . . . . 0.0 110.207 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 53.7 mt-30 -63.07 -43.69 97.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.3 tp -62.96 -36.51 83.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.408 178.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 25.9 mttt -58.94 -44.64 91.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.467 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.625 ' NE2' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -62.87 -42.47 99.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.92 -179.596 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.13 -41.08 82.87 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.439 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.708 ' CE1' HD22 ' A' ' 74' ' ' LEU . 25.8 m-85 -65.38 -46.82 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.122 0.487 . . . . 0.0 109.791 178.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.625 HD12 ' NE2' ' A' ' 19' ' ' GLN . 97.7 mt -58.28 -39.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.7 m -59.01 -46.86 87.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.385 179.148 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.569 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . -65.84 -26.07 72.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.592 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 4.2 mm -72.56 -39.37 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.7 -24.99 23.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.77 -179.866 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -71.38 -37.4 71.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.587 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.697 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.4 p-10 -105.68 175.87 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -59.68 -26.47 65.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.911 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.697 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 35.2 mt-30 -49.96 -16.07 0.25 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.157 -179.625 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.711 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 1.3 pttm -56.38 -33.24 65.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.711 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 96.2 m-20 -68.8 -35.19 76.7 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.195 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 27.4 mt -63.65 -41.53 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.466 -179.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.012 HG23 HE21 ' A' ' 46' ' ' GLN . 4.1 p -70.91 -36.65 64.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.792 178.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.997 179.725 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' HA ' HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.483 0.182 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 1.012 HE21 HG23 ' A' ' 34' ' ' VAL . 49.8 mt-30 63.9 42.34 6.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.754 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.628 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 17.7 mt -44.7 -51.49 9.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.461 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -61.02 -57.36 12.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.658 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -67.34 -42.16 84.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.719 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.6 tt -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.628 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 32.8 m170 -57.68 -50.32 73.57 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.13 -48.3 82.3 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.495 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.69 -53.4 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.342 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 21' ' ' PHE . 16.7 tp -57.95 -51.63 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.135 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -56.82 -42.74 80.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.657 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -62.51 -32.09 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 75.3 m-70 -110.77 14.93 22.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.666 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.612 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.5 ptm180 -53.44 -35.32 60.35 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.805 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -29.92 65.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 6.8 ptt? -57.27 -29.1 63.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -178.796 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 27.0 p -62.73 -28.19 69.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.681 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -71.25 -13.02 61.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 64.7 mmtt -86.88 17.78 3.87 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.246 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -175.37 -42.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.08 -0.648 . . . . 0.0 112.197 178.879 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 18.8 tttm 61.15 6.47 1.31 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.786 ' O ' HD12 ' A' ' 70' ' ' ILE . 90.6 p -86.83 161.8 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.745 179.487 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 74.4 tttt -93.69 -66.34 0.93 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.369 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -60.42 -45.29 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 22.7 t0 -60.05 -45.26 93.45 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.296 -178.288 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 66' ' ' SER . 59.7 mt -58.98 -41.25 82.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 88.9 mt -56.24 -40.95 74.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.361 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -62.58 -45.78 91.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 8.7 mmmm -63.22 -52.99 60.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.358 -179.277 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.708 HD22 ' CE1' ' A' ' 21' ' ' PHE . 8.4 mp -57.27 -41.19 79.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.164 -0.615 . . . . 0.0 110.303 -179.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.544 ' HA ' HE22 ' A' ' 30' ' ' GLN . 76.1 m-20 -55.46 -44.65 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.495 ' HG2' ' NZ ' ' A' ' 80' ' ' LYS . 68.8 tt0 -69.2 -38.8 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.052 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -70.56 -37.32 73.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.592 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.8 t90 -58.31 -43.88 88.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.868 179.036 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.509 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 2.7 m120 -65.14 -36.81 85.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.001 -179.697 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.495 ' NZ ' ' HG2' ' A' ' 76' ' ' GLU . 45.0 mttp -78.98 -73.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.19 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.7 t0 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.725 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.823 0.345 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -74.42 147.88 41.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.247 0.546 . . . . 0.0 111.667 -179.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.0 p -83.12 161.2 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -54.24 -38.41 65.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.58 -49.59 65.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.753 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.704 0.764 . . . . 0.0 109.418 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.522 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.8 t-105 -63.12 -49.72 73.29 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.138 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -55.06 -38.69 68.34 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.462 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -64.29 -43.79 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.286 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 21' ' ' PHE . 57.6 tp -59.79 -38.68 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.404 179.105 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 27.6 mttt -60.78 -47.78 84.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.951 -179.082 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -60.51 -40.06 90.07 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.218 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -61.75 -44.89 96.03 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -62.42 -45.32 93.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.66 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.74 -50.14 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.219 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -56.93 -38.28 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.819 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.66 -32.6 83.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.704 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 6.6 mm -67.56 -33.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.781 -0.21 . . . . 0.0 110.586 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.832 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -88.09 -20.99 24.95 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.168 179.424 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -72.23 -34.26 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -95.9 146.44 24.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.365 0.603 . . . . 0.0 111.614 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -59.24 -26.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -52.75 -17.47 1.36 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.4 pttp -49.7 -22.32 1.33 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.78 0.8 . . . . 0.0 109.697 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -54.75 -42.05 71.15 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.015 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.58 -52.94 62.33 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.12 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 31' ' ' LYS . 4.6 p -60.88 -28.49 43.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.266 0.555 . . . . 0.0 110.204 -179.303 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.397 179.482 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 51.8 m-80 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 14.6 pt20 49.65 64.11 1.89 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.905 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 13.6 mt -52.31 -46.96 66.18 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.526 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 6.6 p-10 -59.17 -52.48 65.53 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.088 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.437 ' HB2' ' OE1' ' A' ' 46' ' ' GLN . 35.8 mt -66.81 -38.26 86.13 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.296 179.677 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.5 OUTLIER -59.3 -46.67 87.92 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.048 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.1 m170 -59.86 -50.13 74.99 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.81 -48.57 81.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.43 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 63.0 t90 -57.59 -55.63 32.33 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.108 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.2 tp -56.28 -50.52 71.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -55.13 -45.54 75.57 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.508 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -61.91 -31.07 71.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 53' ' ' TRP . 62.6 m-70 -110.77 14.61 22.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.466 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.479 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 14.9 ptm180 -54.41 -34.42 61.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 111.011 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.85 -27.58 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.722 179.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.76 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 9.8 ptm -59.11 -29.08 67.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 10.1 p -60.77 -27.3 67.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.288 -179.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -75.52 -12.76 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.061 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.5 mttp -86.96 20.84 2.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.76 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.0 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 178.153 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 tttm 62.32 49.47 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.946 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.635 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 27.7 p -147.31 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.198 -178.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 46.1 tttm -99.55 -61.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -59.23 -41.59 89.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.23 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 23.8 t0 -63.32 -47.93 80.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.455 -179.331 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.635 ' CD1' ' O ' ' A' ' 66' ' ' SER . 42.3 mt -60.65 -40.78 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.296 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.483 HD21 ' CD1' ' A' ' 21' ' ' PHE . 56.1 mt -58.8 -42.32 88.84 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.169 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.37 -44.7 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.731 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 73' ' ' LYS . 1.7 mmmm -60.6 -50.14 74.73 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 70' ' ' ILE . 10.1 mp -54.88 -43.61 73.34 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.086 -179.367 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -57.95 -46.56 84.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.212 -179.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.83 -39.49 90.88 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.733 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -71.78 -41.54 68.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.704 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.5 t90 -54.1 -42.94 69.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.499 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' N ' HD22 ' A' ' 79' ' ' ASN . 2.6 m120 -71.2 -43.2 67.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.408 0.623 . . . . 0.0 109.883 179.558 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -62.45 -34.42 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.405 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.832 -178.976 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.8 mttm . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.437 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 73.8 m-85 -77.79 144.88 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.86 179.524 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 68.6 p -81.7 159.7 23.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.677 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 92.9 m-20 -53.84 -40.81 66.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.316 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.604 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 75.0 m-20 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.929 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.645 0.735 . . . . 0.0 109.641 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.483 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.2 t-105 -63.29 -46.14 88.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.782 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.592 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 57.4 m-20 -54.41 -39.92 67.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.952 0.406 . . . . 0.0 110.431 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.604 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.6 mp0 -64.33 -42.5 96.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 21' ' ' PHE . 33.2 tp -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.9 178.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.506 ' HZ3' ' HA ' ' A' ' 51' ' ' HIS . 25.9 mttt -60.36 -46.95 88.13 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.873 179.749 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.592 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -59.65 -40.22 86.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.121 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.0 m-30 -62.61 -44.59 95.91 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.725 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 HE21 ' A' ' 19' ' ' GLN . 92.5 mt -57.12 -51.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.516 178.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -56.09 -35.27 66.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.37 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.65 -42.15 97.71 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.441 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 1.2 mp -75.24 -23.95 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -92.04 -26.39 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.229 -179.562 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -31.4 50.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.94 178.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 37.6 p30 -100.59 -177.13 3.4 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.416 0.627 . . . . 0.0 111.828 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.97 -25.65 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.413 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -51.5 -15.33 0.41 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -56.28 -39.82 73.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.989 0.423 . . . . 0.0 110.979 -179.711 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -59.49 -40.18 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.182 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.665 ' CD2' ' ND2' ' A' ' 79' ' ' ASN . 9.1 mp -59.69 -39.77 85.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.184 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -64.4 -42.55 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.413 179.058 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 -179.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 . . . . . 0 N--CA 1.461 0.089 0 CA-C-O 120.697 0.284 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' LEU . 7.6 mt-30 61.34 46.93 7.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.787 179.416 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.549 HD23 ' NE2' ' A' ' 51' ' ' HIS . 5.9 mt -36.51 -54.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.573 -179.033 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 49' ' ' LEU . 46.8 p-10 -61.25 -49.14 78.31 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -177.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.562 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 53.7 mt -70.1 -42.25 72.95 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.716 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.695 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -60.52 -45.06 95.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 -179.181 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.549 ' NE2' HD23 ' A' ' 47' ' ' LEU . 17.2 m170 -58.15 -48.77 79.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.45 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.55 -45.9 92.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -56.39 -56.29 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.411 -178.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 65.9 m-20 -57.46 -43.26 83.84 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -62.54 -30.31 71.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.747 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.587 ' O ' ' SD ' ' A' ' 60' ' ' MET . 2.8 m-70 -111.65 19.78 17.75 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.67 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.5 ptm180 -56.23 -33.03 65.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.819 0.342 . . . . 0.0 111.303 178.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -53.89 -36.01 62.21 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.5 -178.795 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.589 ' HG3' ' HE1' ' A' ' 64' ' ' TRP . 3.2 ptt? -58.19 -29.09 65.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.373 -178.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.67 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -64.89 -28.36 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.083 0.468 . . . . 0.0 110.892 -179.261 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -69.67 -22.47 63.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.85 -76.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.044 -179.41 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.733 ' O ' ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -82.17 31.97 0.39 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.535 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' TRP . 80.1 tttt -30.76 77.59 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.916 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 64' ' ' TRP . 2.9 p -162.37 113.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.139 179.089 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.8 tttm -47.02 -63.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.76 -39.91 86.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.008 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 61.5 m-20 -65.74 -44.74 85.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.976 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.607 HG22 HD22 ' A' ' 74' ' ' LEU . 80.9 mt -58.11 -45.8 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.968 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 87.8 mt -55.8 -41.45 74.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.707 ' C ' ' HD1' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -64.25 -51.82 61.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.023 179.634 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.466 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 26.1 mmmt -58.2 -51.57 69.19 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.083 -179.416 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD22 HG22 ' A' ' 70' ' ' ILE . 5.6 mp -57.79 -39.83 78.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.866 179.585 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.551 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 83.7 m-20 -57.52 -43.77 84.55 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.415 179.475 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -67.06 -38.54 85.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.31 -42.7 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.933 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.441 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 1.8 t90 -56.51 -40.25 74.69 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.758 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.665 ' ND2' ' CD2' ' A' ' 33' ' ' LEU . 6.7 m120 -64.54 -39.97 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.723 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 81' ' ' ASP . 18.7 mmtm -84.98 -3.82 58.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.853 179.461 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' A' ' 80' ' ' LYS . 47.2 t0 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.714 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.4 mttt . . . . . 0 N--CA 1.457 -0.124 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -75.2 152.72 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -85.47 160.81 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.129 179.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.05 -39.53 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.15 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -65.4 -46.71 78.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.988 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -64.85 -38.99 92.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.625 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 7.3 t-105 -62.1 -47.07 86.24 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.451 179.679 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -54.6 -40.3 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.169 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.82 -43.63 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.095 179.368 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 21' ' ' PHE . 17.5 tp -65.51 -42.22 92.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.882 178.773 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HD3' HD23 ' A' ' 54' ' ' LEU . 11.9 mtmt -61.9 -43.93 97.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.465 -179.822 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.23 -40.38 97.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.46 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -60.28 -43.88 95.85 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.11 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.71 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -60.89 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.7 mt -58.97 -46.8 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.424 178.192 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.9 m -56.5 -44.02 80.31 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.18 -31.74 81.85 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.558 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 18.5 mt -71.95 -43.49 68.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.26 -23.31 51.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.194 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -73.85 -38.62 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.089 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.558 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 57.3 p30 -90.42 161.54 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.142 0.496 . . . . 0.0 111.891 -178.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.609 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.5 tt0 -63.24 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.637 179.481 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -55.01 -4.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.609 ' H ' ' C ' ' A' ' 29' ' ' GLU . 23.6 pttm -61.14 -28.9 69.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.621 179.413 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -58.38 -36.51 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 33' ' ' LEU . 5.3 mp -62.06 -46.92 87.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.509 -179.244 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 31' ' ' LYS . 7.6 p -70.2 -32.33 50.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.178 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.589 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.574 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.4 m120 . . . . . 0 N--CA 1.462 0.169 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 45' ' ' ASN . 16.6 pt20 46.4 59.57 3.77 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.844 0.831 . . . . 0.0 110.453 -179.077 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.39 -50.31 65.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.931 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.54 -51.06 71.06 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.722 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.6 -45.18 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.668 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.9 tt -59.21 -40.18 84.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.225 -178.704 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.58 -47.43 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.01 179.645 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -61.64 -46.72 88.56 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.12 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -58.3 -57.18 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.103 0.477 . . . . 0.0 110.39 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.531 HD23 ' HD3' ' A' ' 18' ' ' LYS . 13.4 tp -55.55 -48.96 73.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.209 -179.056 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.625 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 98.5 m-20 -57.84 -44.78 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.811 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -60.06 -29.11 68.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 110.591 -179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 60' ' ' MET . 82.5 m-70 -113.75 20.25 16.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.423 -179.543 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -54.11 -35.48 62.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -58.13 -31.91 67.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.701 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.0 ptt? -59.33 -29.28 67.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -63.67 -28.81 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.043 0.449 . . . . 0.0 110.365 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' HE3' ' A' ' 65' ' ' LYS . 94.4 mt-10 -74.08 -12.39 60.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.997 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.12 -56.3 4.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.642 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -86.19 -30.94 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.537 -179.354 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.408 ' HE3' ' O ' ' A' ' 62' ' ' GLU . 13.1 mmtp 62.97 -11.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.137 -179.181 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 64' ' ' TRP . 5.1 p -96.2 131.0 43.13 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.212 0.53 . . . . 0.0 111.614 -179.467 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -65.98 -53.72 35.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -60.87 -38.12 84.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.581 -0.448 . . . . 0.0 112.046 -177.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.27 -44.39 95.25 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.432 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.576 ' O ' HD13 ' A' ' 74' ' ' LEU . 69.2 mt -58.3 -45.77 89.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.176 -179.642 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 71' ' ' LEU . 67.0 mt -55.78 -39.61 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.698 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.08 -46.54 89.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.9 mmmt -60.13 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.909 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 70' ' ' ILE . 9.0 mp -57.8 -45.5 85.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.203 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -53.84 -45.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.69 -179.51 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -71.08 -40.32 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.005 -179.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -70.71 -36.31 73.18 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.577 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 5.4 t-105 -51.1 -31.64 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.753 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.11 -10.58 60.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.062 0.458 . . . . 0.0 109.948 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -84.49 -12.07 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.854 179.413 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.577 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 42.0 p30 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.412 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.907 0.384 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -75.99 144.83 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.617 -179.303 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 14' ' ' TRP . 44.2 p -79.56 162.58 25.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.418 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 98.1 m-20 -57.17 -40.53 77.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.371 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.59 -46.6 85.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.91 -40.08 87.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.682 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.434 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 9.2 t-105 -62.79 -49.0 76.7 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.221 179.537 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.567 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.8 m120 -56.18 -39.56 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.463 179.297 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -62.38 -43.9 97.72 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 21' ' ' PHE . 65.2 tp -60.54 -38.04 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.592 179.173 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' NZ ' ' CG ' ' A' ' 51' ' ' HIS . 30.4 mttt -58.5 -44.2 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.854 179.58 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.567 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -57.48 -43.89 84.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.849 -179.865 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.61 -44.92 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.4 m-30 -62.89 -47.67 82.31 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.317 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.797 HG23 ' CG ' ' A' ' 45' ' ' ASN . 59.8 mt -58.22 -51.14 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.607 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 28.9 t -55.98 -41.9 75.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.83 -40.28 94.92 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.83 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 21' ' ' PHE . 16.7 mm -72.11 -39.98 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.625 -179.691 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.872 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -74.43 -29.15 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.354 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 23' ' ' SER . 91.5 mt-10 -73.5 -34.67 65.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 179.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -89.31 146.7 24.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -55.75 -24.88 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.144 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -48.88 -17.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.732 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -51.78 -25.31 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.403 -178.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -54.39 -30.59 52.64 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.274 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.614 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.896 179.487 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 t -63.41 -42.16 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.171 0.51 . . . . 0.0 109.808 179.292 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.049 -179.305 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.797 ' CG ' HG23 ' A' ' 22' ' ' ILE . 78.6 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.609 0.242 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 14.7 mt-30 63.36 41.81 7.35 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.102 179.096 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -38.3 -58.64 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.66 -51.75 68.26 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.877 -177.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.7 mm? -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.372 179.501 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.5 tt -58.09 -44.91 87.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 -178.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CG ' ' NZ ' ' A' ' 18' ' ' LYS . 30.9 m170 -61.58 -46.18 90.95 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.098 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -61.01 -50.54 72.95 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -56.08 -55.33 34.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.562 0.696 . . . . 0.0 109.598 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.4 -53.67 54.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.113 -179.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -54.52 -39.67 67.85 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.456 HH11 ' CE1' ' A' ' 57' ' ' HIS . 74.9 ttt-85 -65.9 -32.34 73.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.341 -179.506 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.1 m-70 -110.17 13.88 23.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.758 -179.211 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.49 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.9 ptm180 -50.26 -33.82 21.07 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -58.1 -28.74 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.862 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.92 -29.41 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.281 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.1 p -63.18 -29.95 71.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' HG2' ' SG ' ' A' ' 61' ' ' CYS . 73.4 mm-40 -76.54 -12.53 60.04 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.352 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 76.2 mttt -83.98 20.38 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.49 -43.58 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.94 178.501 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 13.0 tttp 72.86 -15.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.424 179.72 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 64' ' ' TRP . 5.1 p -89.14 126.79 35.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.447 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -59.18 -50.38 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 43.2 mm-40 -58.96 -40.62 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -176.692 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 72.4 m-20 -65.89 -45.1 83.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.303 0.573 . . . . 0.0 110.239 179.641 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.526 HG12 ' CD1' ' A' ' 64' ' ' TRP . 79.1 mt -57.19 -47.69 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.722 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 71' ' ' LEU . 86.5 mt -59.28 -41.01 87.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.705 -179.4 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 68' ' ' GLU . 81.9 m-70 -57.85 -42.02 83.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.017 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 4.4 mptp? -64.94 -49.64 69.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.316 179.006 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.15 -39.89 79.94 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.298 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.87 -49.29 75.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -38.65 90.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.037 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 98.4 mm-40 -68.77 -40.52 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.111 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.82 -42.9 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 0.0 109.913 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.66 -42.51 97.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.553 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -87.34 -1.03 57.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.705 179.853 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 80' ' ' LYS . 60.9 t0 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.461 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.909 0.385 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -77.34 145.83 37.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.811 179.372 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p -82.45 162.63 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.978 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -55.51 -42.99 75.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.029 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.716 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 89.2 m-20 -62.05 -46.78 87.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.315 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.87 -41.81 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.538 0.685 . . . . 0.0 109.482 179.036 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.552 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 4.2 t-105 -62.73 -47.23 84.47 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.709 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -54.43 -39.48 67.41 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.869 -0.333 . . . . 0.0 111.321 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.716 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -65.59 -41.98 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.552 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 19.2 tp -60.69 -35.36 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.942 179.005 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.532 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 29.3 mttt -61.68 -48.19 81.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.331 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.85 -39.06 87.72 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.748 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.2 -43.65 92.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.977 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 54' ' ' LEU . 5.9 m-30 -68.32 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.165 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.422 ' CD1' HD22 ' A' ' 47' ' ' LEU . 96.8 mt -58.85 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.607 178.659 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -56.12 -45.99 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.668 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.08 -33.34 74.11 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.631 HG21 HG21 ' A' ' 34' ' ' VAL . 18.9 mm -71.86 -37.9 63.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 O-C-N 122.624 -0.339 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.36 -33.08 37.55 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.154 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 76.9 mm-40 -72.46 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.561 179.172 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.2 p30 -95.02 167.03 11.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.33 0.586 . . . . 0.0 111.477 -179.57 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.1 tt0 -56.07 -30.3 61.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.289 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' OE1' ' CB ' ' A' ' 75' ' ' ASN . 10.4 mt-30 -50.69 -6.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.147 -178.394 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' GLU . 11.4 ttmm -57.01 -42.84 81.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -63.02 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 33' ' ' LEU . 26.7 tp -60.96 -42.98 99.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.293 0.568 . . . . 0.0 110.403 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -67.35 -38.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.337 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.325 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 11.8 m120 . . . . . 0 CA--C 1.518 -0.282 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 4.8 pt20 47.57 41.06 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.32 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 22' ' ' ILE . 44.5 mt -56.19 -43.36 78.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.43 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.03 -45.89 86.2 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.417 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.524 ' HB2' HE21 ' A' ' 46' ' ' GLN . 30.8 mt -65.62 -38.63 89.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.477 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.9 tt -58.15 -44.81 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.215 -179.691 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.532 ' ND1' ' HD3' ' A' ' 18' ' ' LYS . 25.5 m-70 -57.5 -47.72 81.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.229 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -62.95 -47.97 80.9 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -56.15 -51.92 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.428 0.633 . . . . 0.0 109.329 179.352 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 21' ' ' PHE . 17.3 tp -58.99 -53.15 61.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.078 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -54.97 -41.1 70.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 58.9 ttp180 -65.2 -32.09 73.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.469 ' CE1' ' HE ' ' A' ' 56' ' ' ARG . 3.2 m-70 -109.04 16.72 22.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.294 -179.316 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.666 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.4 ptm180 -53.6 -33.77 56.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.843 0.354 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.56 -31.74 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.491 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.69 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.9 ptt? -57.74 -27.79 63.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -179.044 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 21.5 p -60.91 -28.74 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.978 0.418 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -75.03 -15.42 60.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.996 -179.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -85.11 17.15 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.69 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -28.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.775 178.44 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 mttm 52.29 14.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.328 0.585 . . . . 0.0 109.549 -179.256 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 82.6 p -92.44 157.82 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.241 179.051 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' O ' HD23 ' A' ' 71' ' ' LEU . 23.8 tttt -99.42 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 0.0 111.259 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HG2' ' H ' ' A' ' 68' ' ' GLU . 2.4 pt-20 -59.02 -38.79 80.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.79 -178.319 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.485 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 74.9 m-20 -62.71 -42.12 99.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.25 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 66' ' ' SER . 73.1 mt -59.96 -42.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.761 179.282 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -53.14 -42.15 65.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.634 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -58.87 -42.42 89.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.803 178.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.8 mmmt -63.26 -52.84 60.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.8 mp -57.55 -38.97 75.62 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.178 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.408 ' CB ' ' OE1' ' A' ' 30' ' ' GLN . 95.0 m-20 -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.479 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.17 -38.75 88.83 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.628 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.06 -40.41 75.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.888 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.435 ' CZ2' HG23 ' A' ' 34' ' ' VAL . 2.2 t-105 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -63.96 -46.17 85.89 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -58.95 -31.96 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.28 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.49 179.684 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -72.98 155.24 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.339 -179.61 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.6 p -84.25 159.79 20.9 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.101 -179.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -54.29 -41.46 68.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.174 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.534 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 55.6 m-20 -64.93 -47.16 78.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.583 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.1 -40.28 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.1 t-105 -60.17 -43.23 96.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.621 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 8.3 m120 -54.95 -40.28 69.81 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.578 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -62.37 -44.78 95.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.773 179.701 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 18.1 tp -60.65 -39.37 88.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.386 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 23.8 mttm -60.75 -47.94 84.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.621 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -59.74 -40.5 88.31 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.609 -179.488 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.26 -47.0 88.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.371 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 70' ' ' ILE . 4.6 m-30 -62.75 -47.28 84.23 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.402 . . . . 0.0 110.315 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.593 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.7 mt -57.48 -47.99 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.197 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.1 m -56.74 -41.4 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.69 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.0 65.47 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.634 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 31.8 mm -67.27 -35.82 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 117.435 0.618 . . . . 0.0 110.043 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -83.02 -20.72 34.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.907 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -71.82 -36.19 70.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.636 179.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.634 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.1 p-10 -93.94 153.75 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.758 179.23 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.67 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.556 -178.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -49.56 -21.32 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.974 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -52.85 -22.27 5.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.636 -179.167 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 49.2 t0 -59.72 -36.27 76.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.822 179.245 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 33' ' ' LEU . 6.8 mp -65.39 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.05 179.039 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -63.85 -44.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.345 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.48 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.134 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.624 ' O ' ' OE1' ' A' ' 46' ' ' GLN . 6.8 m120 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.624 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 55.99 47.28 20.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.79 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 46' ' ' GLN . 3.4 mt -31.9 -53.89 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -178.61 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -59.25 -52.88 63.75 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.31 -41.54 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.848 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.4 tt -57.47 -43.23 83.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.035 -178.605 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 19.2 m170 -59.04 -47.82 83.84 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.403 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -58.62 -46.96 85.94 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.197 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.421 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 52.3 t90 -57.94 -52.5 65.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.09 -50.76 68.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.718 -179.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -56.61 -43.27 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.85 -32.35 70.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' MET . 71.0 m-70 -118.21 23.84 11.34 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.673 -179.327 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.1 ptm180 -54.5 -34.95 62.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.119 0.485 . . . . 0.0 111.043 179.354 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.82 -32.3 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.171 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.5 ptt? -57.73 -27.77 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.664 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.3 p -60.29 -28.31 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.969 -178.829 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.27 -12.17 60.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -178.606 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.543 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 20.5 mtpp -86.66 21.71 2.11 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.23 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.67 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.66 178.679 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 16.4 tttp 67.15 -28.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.58 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.674 ' H ' ' C ' ' A' ' 64' ' ' TRP . 18.1 p -83.09 130.98 35.17 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.661 179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -67.28 -38.76 85.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.276 -179.143 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -59.61 -39.78 85.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.923 -178.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.567 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 42.7 t0 -64.18 -50.08 69.55 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.818 178.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.682 HG22 HD22 ' A' ' 74' ' ' LEU . 90.4 mt -57.88 -42.63 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.149 -179.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.539 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 42.0 mt -56.87 -42.81 80.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -63.94 -50.4 68.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.057 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.567 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -59.0 -50.14 75.23 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.698 179.431 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.682 HD22 HG22 ' A' ' 70' ' ' ILE . 5.7 mp -59.18 -38.12 79.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.408 179.645 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.539 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 69.6 m-20 -55.36 -46.67 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.543 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.5 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 86.4 mt-10 -68.53 -39.96 80.96 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' ASP . 81.5 mt-30 -68.54 -40.8 80.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.73 179.248 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.23 -43.01 70.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.958 179.54 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -68.89 -35.98 77.52 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 76' ' ' GLU . 28.3 mtmm -84.85 -6.18 59.34 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.144 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' GLN . 65.1 t0 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.859 -1.067 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.951 0.405 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -77.43 140.6 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.0 p -85.04 167.23 16.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -53.64 -41.01 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.077 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.59 -45.95 77.57 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.012 0.434 . . . . 0.0 110.046 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.05 -40.34 94.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 0.0 109.62 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.554 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 6.3 t-105 -64.2 -47.07 81.17 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.281 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -54.42 -39.49 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.331 0.586 . . . . 0.0 110.125 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -64.32 -42.59 96.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 17.9 tp -60.71 -39.56 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.868 179.395 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 29.4 mttt -59.53 -45.14 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.08 179.751 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -59.2 -42.61 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.697 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.74 -43.51 98.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.227 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE2' HD21 ' A' ' 74' ' ' LEU . 3.3 m-30 -63.18 -46.87 85.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.112 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.67 HG23 HD22 ' A' ' 45' ' ' ASN . 97.2 mt -58.76 -48.3 86.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.497 178.346 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.8 t -56.41 -43.69 79.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.29 92.93 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.443 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 19.4 mm -71.08 -39.41 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.902 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.67 -24.69 38.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.983 179.493 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 27' ' ' GLU . 8.2 tm-20 -71.42 -38.65 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.345 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 30' ' ' GLN . 48.2 p30 -88.9 159.84 17.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.153 0.501 . . . . 0.0 111.377 -179.519 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 31' ' ' LYS . 86.5 tt0 -62.36 -30.23 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.542 179.439 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.482 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 87.9 mt-30 -55.81 -3.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.177 -179.671 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 34' ' ' VAL . 58.4 pttt -56.94 -29.56 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.978 0.418 . . . . 0.0 109.984 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -57.58 -38.75 75.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' CD1' HD21 ' A' ' 79' ' ' ASN . 66.8 mt -56.59 -46.5 80.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.744 -178.766 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.591 HG23 HE21 ' A' ' 46' ' ' GLN . 3.9 p -73.71 -37.23 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.071 -179.426 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.628 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.67 HD22 HG23 ' A' ' 22' ' ' ILE . 94.0 m-20 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.591 HE21 HG23 ' A' ' 34' ' ' VAL . 52.8 mt-30 67.14 39.54 3.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.129 179.431 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 46' ' ' GLN . 9.4 mt -37.93 -55.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.41 -57.4 12.92 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.197 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.5 mp -67.33 -40.42 85.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.433 -179.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.1 tt -58.32 -43.05 88.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.671 -179.551 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.479 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 30.2 m170 -58.23 -49.75 75.97 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.312 -179.878 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.33 -47.85 84.0 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.446 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -55.79 -56.42 20.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.909 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 18' ' ' LYS . 25.3 tp -55.95 -50.87 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.467 -179.306 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.092 -178.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -62.54 -32.79 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.248 0.547 . . . . 0.0 110.68 -179.613 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -111.03 18.09 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.972 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.519 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.8 ptm180 -52.08 -32.38 34.59 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.034 0.445 . . . . 0.0 110.347 179.302 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' A' ' 60' ' ' MET . 39.4 p30 -54.44 -26.36 30.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.241 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.743 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 11.4 ptp -54.36 -37.46 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.279 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.5 p -66.47 -29.07 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.588 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.19 -24.35 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.952 179.438 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -80.19 -53.44 6.67 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.575 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -95.56 -25.86 16.01 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.835 -179.77 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 18.0 tttp 55.56 -2.51 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.183 0.516 . . . . 0.0 110.072 -179.29 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.627 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.4 p -82.16 166.17 19.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.161 0.505 . . . . 0.0 111.918 -179.264 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -104.47 -72.25 0.71 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.856 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.81 -37.97 86.4 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.544 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 98.0 m-20 -62.0 -43.53 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.727 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.627 ' CD1' ' O ' ' A' ' 66' ' ' SER . 27.2 mt -60.44 -43.25 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.32 -40.9 71.71 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.791 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -59.72 -43.02 94.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.413 0.625 . . . . 0.0 109.768 179.549 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -61.18 -51.49 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.59 179.749 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD21 ' CE2' ' A' ' 21' ' ' PHE . 7.9 mp -55.75 -38.72 70.2 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.77 -46.36 74.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.404 -0.518 . . . . 0.0 109.911 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.82 -40.16 83.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.3 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 81' ' ' ASP . 84.6 mm-40 -70.16 -40.68 74.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 0.0 110.123 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.548 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 1.7 t-105 -55.92 -42.68 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.744 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.516 HD21 ' CD1' ' A' ' 33' ' ' LEU . 2.2 m120 -71.45 -34.41 70.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.483 179.443 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 4.9 ttmm -84.36 -12.52 54.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.548 ' OXT' ' O ' ' A' ' 78' ' ' TRP . 9.5 m-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.446 -179.843 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.875 0.369 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -75.99 144.71 40.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -82.0 160.17 23.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.793 -179.19 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -54.18 -43.34 70.59 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.011 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.483 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 86.0 m-20 -67.24 -44.81 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.782 179.68 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.692 . . . . 0.0 109.303 179.198 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.575 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 6.7 t-105 -62.23 -46.43 88.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.189 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -54.98 -40.7 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 8.1 mp0 -63.17 -44.06 96.53 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.827 HD11 ' CE1' ' A' ' 21' ' ' PHE . 55.5 tp -58.78 -39.29 80.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.001 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 22' ' ' ILE . 29.5 mttt -59.17 -45.54 90.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.279 179.618 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -59.83 -42.35 93.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.497 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -60.75 -43.06 98.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.8 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.827 ' CE1' HD11 ' A' ' 17' ' ' LEU . 6.4 m-30 -66.53 -43.91 83.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.308 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.71 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.5 mt -57.71 -50.34 77.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.17 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -57.89 -42.72 85.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.49 -34.48 89.55 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.81 -42.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.039 -179.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -75.9 -28.15 57.97 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.368 0.604 . . . . 0.0 109.583 178.877 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 22.9 tp10 -74.09 -25.25 59.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.097 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -97.84 160.44 14.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 0.0 111.548 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -60.15 -30.65 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.356 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -55.49 -8.99 0.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.257 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 10.7 pttm -55.5 -39.89 71.05 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.379 0.609 . . . . 0.0 109.599 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 87.9 m-20 -58.3 -44.35 88.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.222 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.69 -48.05 78.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.642 -179.258 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.662 HG21 ' HA ' ' A' ' 45' ' ' ASN . 2.7 p -65.55 -34.21 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.035 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.353 -179.715 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.71 ' OD1' HG23 ' A' ' 22' ' ' ILE . 1.5 m120 . . . . . 0 C--O 1.226 -0.164 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.646 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 62.05 41.72 10.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.272 -179.735 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD21 HD11 ' A' ' 22' ' ' ILE . 4.5 mt -38.19 -58.52 0.97 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.881 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -56.67 -51.21 69.64 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.218 -177.871 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 mp -68.99 -33.49 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.493 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -57.86 -46.34 84.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.858 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -59.12 -45.03 91.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.96 -53.24 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.919 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -60.44 -51.58 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.004 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.14 -52.74 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.743 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -55.51 -41.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.439 -179.388 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -61.41 -32.93 72.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.339 -179.627 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.8 m-70 -113.27 19.58 16.93 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.578 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.3 ptm180 -53.08 -34.43 56.55 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.379 0.609 . . . . 0.0 110.41 179.007 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -55.91 -34.56 65.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.266 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.775 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptt? -55.58 -28.25 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.393 -178.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.0 p -61.81 -28.99 69.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.697 0.284 . . . . 0.0 111.764 -178.627 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.38 -12.48 60.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.067 -179.27 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 45.7 mtpt -86.7 16.24 4.93 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.775 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.42 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.018 0.437 . . . . 0.0 110.064 178.001 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mttm 51.69 2.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.329 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.637 ' H ' ' C ' ' A' ' 64' ' ' TRP . 13.1 p -88.59 163.6 15.77 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.702 178.584 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -96.1 -63.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -178.064 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.06 -35.17 79.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.792 -177.793 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.409 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 77.5 m-20 -65.69 -45.68 81.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.989 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 66' ' ' SER . 55.5 mt -60.69 -39.77 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.491 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 78.4 mt -57.8 -39.67 78.1 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.646 179.495 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.24 -46.49 90.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.432 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.9 mmtt -61.55 -53.62 53.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.556 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -57.79 -36.99 72.93 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.366 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 71' ' ' LEU . 2.1 m120 -58.92 -43.42 91.12 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.778 179.742 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -63.72 -39.78 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.611 ' O ' ' N ' ' A' ' 81' ' ' ASP . 73.8 mt-30 -73.89 -36.17 64.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.29 0.567 . . . . 0.0 110.304 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.52 ' CZ2' ' OE1' ' A' ' 46' ' ' GLN . 3.9 t-105 -54.38 -45.65 72.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.692 179.823 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -74.75 -34.4 62.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.411 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -91.22 -73.25 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 77' ' ' GLN . 28.5 t70 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.865 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttm . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.034 0.445 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -75.72 155.61 35.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -86.19 158.53 19.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.536 -179.623 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -52.86 -38.64 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.774 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.9 m-20 -65.5 -49.7 68.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.326 0.584 . . . . 0.0 110.491 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.14 -35.39 80.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.034 179.006 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.462 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 6.8 t-105 -63.56 -45.66 89.49 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -56.35 -38.44 71.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.48 0.657 . . . . 0.0 109.812 179.36 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.731 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.86 -42.07 99.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.07 -38.13 85.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.813 178.829 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 31.0 mttt -61.3 -44.95 96.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 179.596 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.71 -41.87 91.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.038 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -63.14 -41.35 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.165 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -66.96 -44.17 81.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.667 HG23 ' CG ' ' A' ' 45' ' ' ASN . 93.3 mt -57.65 -51.89 64.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.568 ' HA ' HD23 ' A' ' 26' ' ' LEU . 50.1 m -53.79 -34.76 60.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.071 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.4 -35.69 82.56 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.3 mm -73.31 -32.68 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.21 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.862 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.39 -28.1 25.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.76 179.793 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 48.3 tp10 -75.16 -33.39 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.692 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -97.42 164.85 12.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.249 179.355 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -61.06 -19.99 62.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.297 179.575 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -47.99 -16.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.268 -178.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 9.9 pttm -58.88 -33.53 70.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.634 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 94.8 m-20 -64.72 -41.0 96.3 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.103 179.196 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.46 HD13 ' OD1' ' A' ' 79' ' ' ASN . 54.0 mt -60.39 -36.44 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.501 179.598 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -62.34 -49.51 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.018 -179.88 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' N ' HG12 ' A' ' 34' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.414 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.014 -179.693 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.667 ' CG ' HG23 ' A' ' 22' ' ' ILE . 1.3 m-80 . . . . . 0 CA--C 1.518 -0.268 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 19.0 mt-30 60.53 45.02 11.11 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.333 178.874 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 1.8 mt -43.19 -53.84 4.83 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.93 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.76 -54.78 42.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.27 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.602 ' H ' HD12 ' A' ' 49' ' ' LEU . 4.7 mp -68.28 -40.69 81.75 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.787 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.4 tt -59.64 -44.79 93.37 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 18.7 m170 -58.19 -50.68 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.628 -179.444 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -61.36 -45.37 94.68 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.955 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.479 ' CZ3' ' HG ' ' A' ' 74' ' ' LEU . 51.2 t90 -56.77 -55.26 36.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.592 0.711 . . . . 0.0 109.73 179.36 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.47 -49.56 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.525 -179.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -56.3 -42.04 76.92 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.98 -179.815 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 57' ' ' HIS . 23.7 ttp-105 -62.12 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.024 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.515 ' O ' ' SD ' ' A' ' 60' ' ' MET . 34.1 m-70 -114.89 19.18 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.996 -178.482 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 15.1 ptm180 -53.46 -34.43 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 111.493 179.839 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.43 -32.04 64.49 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.587 -179.077 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 8.6 ptt? -57.84 -29.99 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 p -60.19 -30.0 69.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -178.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -75.67 -13.91 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.074 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.1 -59.68 2.26 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.716 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -79.71 -37.74 34.96 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.647 -179.381 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.7 tttm 60.39 -16.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.631 ' H ' ' C ' ' A' ' 64' ' ' TRP . 11.1 p -92.66 129.97 38.43 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.224 179.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.783 -178.55 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.34 -38.95 91.49 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 84.2 m-20 -64.33 -44.6 91.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.298 -179.088 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 64' ' ' TRP . 56.4 mt -60.0 -44.97 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.627 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 75.5 mt -55.18 -40.22 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.4 -179.767 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.82 -44.55 93.96 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.724 179.148 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.579 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 3.1 mptp? -65.55 -49.44 68.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.479 ' HG ' ' CZ3' ' A' ' 53' ' ' TRP . 6.7 mp -58.81 -36.19 74.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.783 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.473 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 68.2 m-20 -56.57 -47.86 78.62 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.328 179.004 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -70.35 -41.2 73.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.368 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.579 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 3.7 mp0 -70.11 -44.29 69.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.992 -179.45 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 2.0 t-105 -54.97 -42.4 72.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.351 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.46 ' OD1' HD13 ' A' ' 33' ' ' LEU . 79.3 m-20 -68.82 -37.16 79.01 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.017 0.437 . . . . 0.0 110.23 179.17 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -81.88 -7.27 59.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.321 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' GLN . 20.8 t70 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.393 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.8 mttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.598 0.237 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -77.11 149.08 35.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.909 0.385 . . . . 0.0 110.948 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.8 p -83.1 160.86 21.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.659 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -52.95 -43.16 66.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -178.724 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.74 -42.94 81.03 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.814 -179.733 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.6 -40.3 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.412 0.625 . . . . 0.0 109.578 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.473 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 5.1 t-105 -63.15 -46.49 86.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.511 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 2.0 m120 -56.31 -38.43 71.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 179.505 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -63.64 -43.72 95.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 21' ' ' PHE . 57.0 tp -62.0 -38.51 88.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.912 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 26.5 mttt -59.91 -45.36 92.79 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.622 179.787 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' NE2' HD12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -60.66 -41.99 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.661 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.46 -43.82 96.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -64.46 -46.89 81.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.931 179.325 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.538 HD12 ' NE2' ' A' ' 19' ' ' GLN . 61.8 mt -57.77 -46.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.29 178.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -55.75 -44.95 78.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.294 179.554 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.99 86.01 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.461 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 5.3 mm -72.58 -35.01 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.433 -179.41 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.27 -25.49 23.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.103 0.478 . . . . 0.0 111.15 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -72.85 -37.34 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.486 179.135 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.496 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 48.4 p30 -84.79 157.54 20.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.541 . . . . 0.0 111.618 -179.413 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.92 -23.76 67.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.679 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.428 HE22 ' HB3' ' A' ' 75' ' ' ASN . 24.4 mt-30 -61.01 -11.88 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.377 -178.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 1.028 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -52.21 -23.96 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.808 -179.319 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 51.2 t0 -57.45 -38.8 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.401 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' H ' HD12 ' A' ' 33' ' ' LEU . 4.9 mp -60.16 -39.37 86.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.376 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.028 HG12 ' O ' ' A' ' 31' ' ' LYS . 3.8 p -66.45 -33.95 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.987 -179.694 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.086 0.469 . . . . 0.0 109.844 179.896 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.612 ' O ' ' OE1' ' A' ' 46' ' ' GLN . 4.4 m-80 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.612 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 56.96 55.11 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 179.324 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 68.6 mt -42.25 -50.95 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.383 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -59.4 -57.59 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.163 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.99 -40.99 95.77 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.367 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.4 tt -58.69 -43.69 90.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 -178.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 26.1 m170 -60.63 -47.61 85.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.316 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -58.77 -48.15 82.22 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.783 179.784 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -56.94 -57.46 12.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' ARG . 10.3 tp -57.64 -51.8 68.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.14 -178.606 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.28 -43.58 71.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -178.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -64.74 -31.44 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 179.439 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.409 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 84.4 m-70 -107.55 15.53 24.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.324 -179.604 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.673 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -55.4 -34.13 64.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 110.914 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.03 -32.67 66.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.397 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptm -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.33 -179.482 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.673 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.3 p -62.35 -27.43 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.757 -178.179 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -71.88 -12.88 61.48 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.472 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.63 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.2 mmtt -84.88 19.15 2.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.766 0.317 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -166.84 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 111.117 178.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 tttm 59.78 -1.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.516 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 64' ' ' TRP . 70.6 p -85.88 -149.02 0.13 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.24 178.549 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -139.79 -61.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.358 -0.537 . . . . 0.0 112.152 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.8 -36.11 78.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.922 -178.033 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 67.4 m-20 -63.02 -49.47 74.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 -179.363 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.764 HG22 HD13 ' A' ' 74' ' ' LEU . 30.0 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.555 -179.322 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 71' ' ' LEU . 92.2 mt -53.83 -41.26 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.807 179.344 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -58.93 -44.74 91.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.182 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.536 ' HA ' ' HZ3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -64.9 -51.41 62.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.747 -179.514 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.764 HD13 HG22 ' A' ' 70' ' ' ILE . 7.6 mp -59.21 -36.44 75.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.428 ' HB3' HE22 ' A' ' 30' ' ' GLN . 88.1 m-20 -56.54 -50.57 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.294 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -64.36 -38.55 91.42 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.919 179.646 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.602 ' O ' ' N ' ' A' ' 81' ' ' ASP . 9.0 tp-100 -70.42 -41.85 72.4 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.391 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -54.62 -39.62 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -68.27 -40.54 81.82 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.402 178.8 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 81' ' ' ASP . 10.5 mtmt -89.39 -1.05 57.92 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 77' ' ' GLN . 18.1 t70 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.408 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 9.1 mtpm? . . . . . 0 C--O 1.232 0.169 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -77.71 140.2 39.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 112.036 -178.61 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 p -86.91 162.64 17.6 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.451 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.16 -41.76 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.477 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 75.9 m-20 -63.01 -44.73 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.276 179.62 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -67.0 -38.58 86.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.406 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.499 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -60.91 -47.51 86.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.69 179.529 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -54.66 -40.36 68.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.522 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.671 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -65.2 -44.55 88.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.732 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 tp -60.03 -41.17 91.64 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.8 mttt -57.44 -46.49 83.52 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.458 179.535 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -58.74 -41.14 85.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.67 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.72 -45.71 88.99 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 109.898 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -64.92 -46.74 80.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.179 -179.876 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 18' ' ' LYS . 80.7 mt -58.8 -46.01 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.606 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -56.76 -45.53 82.01 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.038 179.62 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.97 81.0 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.727 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 31.9 mm -70.71 -40.71 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 121.344 -0.142 . . . . 0.0 111.295 -179.769 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.858 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -82.51 -30.15 30.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 109.945 179.548 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.58 ' OE1' ' OD1' ' A' ' 28' ' ' ASN . 8.2 tm-20 -74.03 -45.48 49.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.632 179.522 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.58 ' OD1' ' OE1' ' A' ' 27' ' ' GLU . 88.6 m-20 -86.88 160.28 18.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.582 0.706 . . . . 0.0 111.808 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 31' ' ' LYS . 81.6 tt0 -59.26 -26.08 64.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.334 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -49.44 -8.71 0.03 OUTLIER 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 109.808 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.861 ' O ' HG12 ' A' ' 34' ' ' VAL . 78.0 tttt -55.99 -39.41 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.313 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.41 -32.55 71.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.149 0.5 . . . . 0.0 110.196 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -67.93 -43.12 79.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.793 -179.517 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 31' ' ' LYS . 7.6 p -62.12 -33.27 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.632 179.745 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.389 178.993 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.613 HD22 ' N ' ' A' ' 45' ' ' ASN . 1.5 m120 . . . . . 0 C--O 1.228 -0.05 0 N-CA-C 111.295 0.109 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 14.9 pt20 51.12 53.52 12.83 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.138 0.494 . . . . 0.0 110.886 -179.334 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.7 mt -46.06 -52.15 12.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.024 -179.668 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -57.25 -53.89 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.56 -178.406 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB2' HE21 ' A' ' 46' ' ' GLN . 22.7 mt -65.15 -40.55 94.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.037 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.1 tt -58.2 -45.1 88.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.866 -178.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.8 m170 -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.777 179.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -61.17 -49.99 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -57.98 -55.79 30.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.516 0.674 . . . . 0.0 110.966 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.4 tp -54.96 -50.38 69.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.118 -178.509 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.77 -43.89 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.833 -179.261 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.77 -31.9 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.583 ' O ' ' CG ' ' A' ' 60' ' ' MET . 97.8 m-70 -109.43 14.39 23.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.648 -178.689 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.551 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.672 0.272 . . . . 0.0 111.283 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 61.4 t0 -60.03 -31.7 70.2 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.5 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.0 ppp? -56.51 -26.79 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.0 p -62.36 -28.28 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.205 -179.521 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.4 mt-10 -75.16 -13.07 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.517 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.2 mmtp -85.63 24.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.021 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.717 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.56 -34.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.039 177.349 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mttm 54.54 6.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.304 0.573 . . . . 0.0 110.038 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.605 ' O ' HD12 ' A' ' 70' ' ' ILE . 24.5 p -91.42 176.8 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.784 179.056 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -111.18 -63.34 1.42 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.56 -37.56 81.7 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.754 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.457 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 15.8 t0 -63.02 -45.28 93.11 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 66' ' ' SER . 89.8 mt -59.6 -45.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.772 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.71 -40.76 66.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.203 0.525 . . . . 0.0 109.973 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.54 -46.67 88.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 12.8 mmtt -59.09 -52.55 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.655 -179.362 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 70' ' ' ILE . 6.7 mp -57.64 -39.0 76.01 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.866 -179.484 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.529 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 3.0 m120 -56.3 -47.25 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.188 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.57 -39.94 95.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.467 . . . . 0.0 110.523 179.152 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 81' ' ' ASP . 3.0 mm-40 -74.13 -36.32 64.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.366 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.509 ' HZ2' HG23 ' A' ' 34' ' ' VAL . 4.1 t-105 -56.31 -38.64 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.231 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.569 ' N ' HD22 ' A' ' 79' ' ' ASN . 0.9 OUTLIER -60.12 -40.43 89.68 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.0 -179.661 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -94.39 -7.08 42.63 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.778 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 77' ' ' GLN . 25.1 t70 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mttm . . . . . 0 C--O 1.231 0.092 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.7 145.15 29.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.247 0.546 . . . . 0.0 111.674 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.4 p -85.64 162.62 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.602 179.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.31 -38.8 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.35 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.599 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 93.9 m-20 -64.53 -46.54 82.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.638 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 71.3 mm-40 -65.28 -38.32 89.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.824 178.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.426 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 3.4 t-105 -62.76 -47.87 81.66 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.461 -179.534 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.593 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 86.9 m-20 -55.54 -41.63 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.599 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -64.89 -42.07 95.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.27 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.86 -38.15 78.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 28.6 mttt -60.03 -44.1 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.275 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.593 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.5 mp0 -61.36 -43.16 99.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.164 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -60.69 -38.57 85.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -70.47 -50.53 37.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.117 0.484 . . . . 0.0 110.11 179.452 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.55 HD12 HE21 ' A' ' 19' ' ' GLN . 56.2 mt -57.53 -43.19 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.025 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.6 -43.07 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.413 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.06 -30.98 74.98 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.079 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 25' ' ' ILE . 40.6 mm -71.99 -47.95 52.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.845 0.355 . . . . 0.0 110.128 179.4 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.851 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.88 -30.13 62.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.221 179.37 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 5.2 tm-20 -72.67 -38.81 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.586 179.837 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -86.16 150.05 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' LYS . 54.9 tp10 -54.54 -29.64 51.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.265 179.503 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.07 -7.85 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.625 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.9 pttm -53.68 -37.5 63.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.178 -179.492 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.36 -32.93 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.22 0.533 . . . . 0.0 109.816 178.195 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.86 -47.65 84.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.856 HG23 ' NE2' ' A' ' 46' ' ' GLN . 9.9 p -67.94 -28.17 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.968 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.212 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.584 ' HB3' HG21 ' A' ' 34' ' ' VAL . 25.3 m120 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 111.464 0.172 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.856 ' NE2' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 60.52 45.35 10.76 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.594 0.559 . . . . 0.0 112.273 179.072 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 83.4 mt -48.81 -48.35 41.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.05 179.526 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.76 -52.68 64.68 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.076 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 49' ' ' LEU . 93.0 mt -65.48 -40.31 92.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.963 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -59.22 -43.04 92.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 -179.012 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 21.4 m170 -58.76 -49.44 77.64 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.287 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -61.3 -47.8 84.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.026 -179.694 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -55.48 -54.17 47.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.898 0.856 . . . . 0.0 110.081 179.42 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 tp -55.39 -48.38 74.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.778 -179.031 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -56.72 -40.94 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.052 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 56' ' ' ARG . 43.6 ttt85 -63.59 -29.89 71.08 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' MET . 93.2 m-70 -107.4 17.63 22.55 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.309 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.632 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 ptm180 -55.93 -35.05 66.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.476 -179.663 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -53.74 -28.26 33.25 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.739 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.6 ptm -54.65 -34.7 62.57 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.504 179.268 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.632 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.8 p -68.2 -31.42 70.94 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.798 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.15 -28.08 65.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -84.06 -82.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.342 179.097 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.727 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.1 OUTLIER -91.86 52.95 2.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.12 179.24 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 61' ' ' CYS . 1.7 pttm -45.97 9.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -179.26 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.724 ' O ' HD12 ' A' ' 70' ' ' ILE . 3.1 p -75.55 165.24 25.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.099 0.476 . . . . 0.0 110.943 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttm -91.62 -68.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.431 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -62.83 -38.63 91.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 52.9 m-20 -61.57 -45.12 95.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.156 -179.561 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 66' ' ' SER . 61.0 mt -61.02 -42.48 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.423 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 22.0 mt -55.02 -39.48 69.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.954 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -62.09 -46.17 90.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.176 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.48 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 23.9 mmtm -59.64 -52.95 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.618 HD13 HG22 ' A' ' 70' ' ' ILE . 6.4 mp -54.49 -40.88 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.158 -179.273 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -55.14 -44.64 75.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.38 -42.02 93.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.838 0.352 . . . . 0.0 111.433 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 81' ' ' ASP . 35.4 tt0 -73.27 -31.72 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.297 178.746 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -56.82 -41.48 77.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.34 -41.45 89.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.539 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.611 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 48.4 tttp -61.38 -40.52 94.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.304 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.611 ' OXT' ' O ' ' A' ' 80' ' ' LYS . 1.8 t70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.101 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HD3' ' NH1' ' A' ' 58' ' ' ARG . 31.7 mttt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.829 0.347 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -80.64 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.385 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.7 p -84.94 161.78 19.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.704 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.592 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 90.3 m-20 -54.51 -43.4 71.84 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.729 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 86.7 m-20 -62.7 -48.03 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.13 -38.57 91.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.321 0.581 . . . . 0.0 109.924 179.288 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.2 t-105 -61.43 -45.8 92.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.763 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 80.6 m-20 -57.4 -41.07 79.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.33 -179.839 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.729 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -62.56 -42.65 99.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.843 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.638 HD11 ' CE1' ' A' ' 21' ' ' PHE . 49.3 tp -61.01 -38.41 85.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.028 179.25 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 19.1 mttm -60.23 -46.74 88.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.307 179.209 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.566 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -60.89 -43.23 98.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.829 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.92 -42.65 94.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.638 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.9 m-30 -68.15 -48.09 66.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.447 0.642 . . . . 0.0 110.254 179.606 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.586 HG23 ' CB ' ' A' ' 45' ' ' ASN . 87.9 mt -58.42 -50.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.555 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 16.9 m -56.16 -39.34 72.18 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.467 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.43 -31.61 81.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.0 mm -69.94 -35.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.855 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -90.4 -24.98 20.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.017 -179.785 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 23' ' ' SER . 71.6 mm-40 -77.29 -37.08 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.097 0.475 . . . . 0.0 109.827 178.112 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -90.85 165.02 13.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.825 179.731 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.11 -24.72 56.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.386 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.662 ' HA ' HD13 ' A' ' 33' ' ' LEU . 7.0 mp0 -49.67 -16.97 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -179.338 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 34' ' ' VAL . 31.2 pttt -55.77 -38.49 69.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.742 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 71.2 m-20 -63.75 -37.81 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 30' ' ' GLN . 10.2 mp -61.33 -43.68 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -179.118 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.618 HG23 HE21 ' A' ' 46' ' ' GLN . 14.3 p -75.7 -26.84 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.907 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.586 ' CB ' HG23 ' A' ' 22' ' ' ILE . 28.9 m120 . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.618 HE21 HG23 ' A' ' 34' ' ' VAL . 46.9 mt-30 65.6 38.25 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.472 -179.487 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 26.1 mt -39.23 -53.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.344 -179.831 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.0 -59.36 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.341 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.16 -39.22 78.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 50' ' ' LEU . 3.0 tt -58.8 -43.42 90.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.6 m-70 -57.58 -47.47 82.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -59.84 -47.36 86.03 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.269 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -58.17 -56.11 26.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.689 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.69 -49.45 72.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.179 -178.427 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.66 -45.25 89.79 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.148 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 56' ' ' ARG . 12.5 ttm180 -65.08 -32.47 74.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.581 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -109.61 16.95 21.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.051 -179.344 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.66 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.8 ptm180 -51.68 -33.35 33.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.553 179.827 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -54.61 -34.33 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.587 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.67 -30.15 65.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.274 -179.123 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -62.28 -28.41 69.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.927 -179.392 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -74.5 -12.7 60.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.518 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.524 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 2.6 mtmt -84.06 22.29 1.21 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.633 0.254 . . . . 0.0 111.218 -178.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.068 178.319 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 75.5 -18.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.8 p -88.36 141.67 28.35 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.558 179.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 59.1 tttm -62.14 -53.4 55.98 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.381 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.97 -38.46 86.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -177.349 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 97.4 m-20 -62.63 -50.08 72.65 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.803 -179.276 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.646 HG22 HD13 ' A' ' 74' ' ' LEU . 28.3 mt -56.72 -46.29 83.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.656 -179.238 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 71' ' ' LEU . 61.5 mt -57.78 -42.53 84.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.394 -178.713 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.557 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 84.7 t60 -58.94 -45.09 91.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.998 0.428 . . . . 0.0 110.56 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 18.5 mmtt -63.14 -51.18 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.455 -179.777 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 70' ' ' ILE . 7.2 mp -58.45 -37.99 76.57 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.841 179.773 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.556 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 7.4 m120 -53.94 -51.93 62.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.452 -179.472 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.9 mp0 -67.97 -35.8 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.789 179.268 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.33 -41.74 76.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.011 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.4 t-105 -57.2 -42.74 81.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.438 178.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.747 ' N ' HD22 ' A' ' 79' ' ' ASN . 0.8 OUTLIER -61.84 -38.36 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.136 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -83.25 -1.64 53.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.599 179.239 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 65.3 t0 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.887 0.375 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -76.39 153.75 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.6 p -85.73 158.72 19.96 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.39 -40.32 68.07 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.143 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -65.99 -47.27 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -63.94 -39.08 93.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.391 0.615 . . . . 0.0 109.649 179.13 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -63.11 -47.31 83.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.398 179.747 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.609 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.8 m120 -57.8 -38.5 75.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.016 178.663 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -62.22 -44.03 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.025 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.665 HD11 ' CE1' ' A' ' 21' ' ' PHE . 54.9 tp -61.47 -39.33 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.62 179.397 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' O ' HG13 ' A' ' 22' ' ' ILE . 25.3 mttt -59.87 -46.64 88.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.676 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.609 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -60.29 -41.35 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.722 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.03 -45.49 93.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 -179.628 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.665 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.0 m-30 -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.955 -179.908 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.568 HD12 ' NE2' ' A' ' 19' ' ' GLN . 91.9 mt -57.99 -49.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.995 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 m -56.04 -38.66 70.87 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.11 -33.95 81.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.765 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.582 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 17.3 mm -71.23 -46.82 63.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.761 0.315 . . . . 0.0 110.685 179.683 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -69.49 -26.05 64.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 109.388 179.263 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -74.41 -29.29 61.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.325 178.596 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.582 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 52.5 p30 -109.34 154.57 22.34 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 112.188 -179.234 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -63.8 -20.97 66.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.661 179.261 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.533 HE22 ' CG ' ' A' ' 75' ' ' ASN . 97.5 mt-30 -47.94 -23.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -178.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -49.13 -21.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.235 0.54 . . . . 0.0 110.511 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.12 -40.22 73.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.403 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 33' ' ' LEU . 6.6 mp -61.22 -35.67 77.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.689 -179.528 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -66.3 -37.5 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.867 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.953 179.539 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.569 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 48.9 m-80 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.53 0.205 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 9.0 pt20 49.56 47.92 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.716 0.769 . . . . 0.0 110.022 -178.844 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' A' ' 51' ' ' HIS . 3.6 mt -42.16 -48.62 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.202 -179.666 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -56.82 -52.25 65.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.601 -177.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.661 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.3 mm? -69.99 -38.54 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.355 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -44.87 91.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 -178.699 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.483 ' NE2' ' CD2' ' A' ' 47' ' ' LEU . 12.1 m170 -60.78 -51.18 70.45 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.016 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.34 -45.34 93.79 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.443 -179.776 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -56.55 -57.74 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.784 179.422 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.85 -49.49 73.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 -179.339 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.78 -41.16 73.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -65.34 -32.27 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.853 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.613 ' O ' ' CG ' ' A' ' 60' ' ' MET . 89.4 m-70 -111.71 16.01 20.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.275 -178.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.598 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.4 ptm180 -49.62 -34.36 17.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.796 0.331 . . . . 0.0 111.442 179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.72 -30.16 55.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.381 0.61 . . . . 0.0 110.415 -179.44 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.733 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.47 -32.15 66.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.291 179.312 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.0 p -66.91 -31.62 72.33 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 109.903 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 75.6 mm-40 -68.88 -26.5 65.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.059 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -77.72 -47.29 19.45 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.875 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.733 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -139.56 57.39 1.64 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.043 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 61' ' ' CYS . 21.0 pttm -50.73 17.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.113 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.684 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.9 p -77.14 158.15 30.58 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.024 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -82.13 -66.84 0.84 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.8 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.13 -39.08 91.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.48 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.36 -178.351 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 66' ' ' SER . 78.2 mt -60.55 -40.71 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.967 -179.659 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 71' ' ' LEU . 82.4 mt -55.52 -41.81 73.64 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.529 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -62.16 -44.83 95.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.849 179.524 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.488 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 13.0 mmtt -60.71 -52.69 64.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.677 -179.646 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 78' ' ' TRP . 9.2 mp -56.9 -37.43 71.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.268 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CG ' HE22 ' A' ' 30' ' ' GLN . 87.2 m-20 -57.52 -44.58 85.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.517 179.367 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 92.3 mt-10 -66.36 -39.39 89.11 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.775 178.481 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.09 -35.96 74.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.524 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.4 t-105 -55.71 -43.24 76.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.172 179.266 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.13 -36.99 86.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.898 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 53.5 mttm -63.93 -34.45 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.396 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.603 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 6.9 p30 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.171 -178.666 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttm . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 121.119 0.485 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -77.87 150.5 34.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.403 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 37.0 p -83.02 161.18 21.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -56.64 -42.83 79.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.364 -179.038 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.675 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 74.9 m-20 -64.59 -42.27 95.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.404 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 94.1 mt-10 -67.75 -39.25 84.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.247 178.33 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' THR . 3.9 t-105 -61.95 -46.87 87.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.439 179.83 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.608 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 88.0 m-20 -56.34 -41.54 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.455 179.319 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.675 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -62.6 -44.13 97.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.484 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.66 -38.72 85.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 25.5 mttt -59.48 -44.07 93.14 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.668 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.608 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -59.1 -44.06 91.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.164 -179.482 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HB3' ' CE ' ' A' ' 67' ' ' LYS . 71.8 m-20 -61.48 -41.82 97.85 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.565 179.547 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CE2' HD21 ' A' ' 74' ' ' LEU . 3.9 m-30 -65.22 -47.67 76.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.826 179.195 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.504 HD12 ' NE2' ' A' ' 19' ' ' GLN . 85.9 mt -57.88 -48.99 82.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.705 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 68.4 m -55.67 -41.52 73.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.33 90.5 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.695 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.0 mm -70.8 -34.61 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.276 -179.643 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -80.34 -32.87 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.324 179.812 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 23' ' ' SER . 90.2 mt-10 -74.68 -39.27 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.505 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 50.1 t-20 -83.73 153.02 24.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.63 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 31' ' ' LYS . 84.3 tt0 -58.98 -25.56 63.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 91.0 mt-30 -50.26 -6.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.267 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.873 ' O ' HG12 ' A' ' 34' ' ' VAL . 25.7 pttm -54.87 -35.49 64.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -63.58 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.035 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.645 HD13 HD22 ' A' ' 79' ' ' ASN . 88.2 mt -59.95 -46.0 90.8 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.873 HG12 ' O ' ' A' ' 31' ' ' LYS . 6.7 p -62.14 -31.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.269 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.422 179.509 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.76 HD21 ' CD2' ' A' ' 47' ' ' LEU . 9.1 p30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.541 0.21 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.547 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 14.5 pt20 46.78 57.39 5.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.52 0.676 . . . . 0.0 109.802 -178.45 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.76 ' CD2' HD21 ' A' ' 45' ' ' ASN . 53.7 mt -42.73 -52.48 4.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.2 -179.116 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 11.8 p-10 -59.85 -52.77 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.855 -178.222 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 83.7 mt -67.01 -40.57 87.34 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.242 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.3 OUTLIER -59.1 -45.01 91.96 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.357 -179.248 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 25.0 m170 -59.81 -46.25 89.8 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.613 0.245 . . . . 0.0 110.73 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -58.7 -47.34 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.708 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.75 -55.02 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.519 179.567 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' A' ' 21' ' ' PHE . 15.2 tp -56.75 -53.39 58.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.354 -179.58 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -54.63 -45.3 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.161 -179.191 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' CZ ' ' CE1' ' A' ' 57' ' ' HIS . 6.0 ttt180 -60.3 -32.16 70.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.405 -179.618 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' A' ' 60' ' ' MET . 36.7 m-70 -112.3 23.88 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.188 -179.427 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -56.18 -35.44 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.277 0.561 . . . . 0.0 110.638 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' MET . 11.3 p30 -58.94 -27.55 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.649 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.3 ptt? -60.56 -30.22 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.082 -179.412 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.459 ' N ' ' HG2' ' A' ' 60' ' ' MET . 13.3 p -61.59 -28.03 69.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.22 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.44 -13.01 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -178.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 26.2 mttm -87.34 20.69 2.71 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.21 -50.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 110.59 177.948 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttm 67.82 -4.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.593 -178.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 64' ' ' TRP . 12.7 p -94.66 134.92 36.72 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.638 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -62.45 -55.65 25.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.277 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.44 -42.48 87.45 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.218 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.6 m-20 -60.95 -47.79 84.8 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.169 -178.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 64' ' ' TRP . 84.7 mt -60.78 -43.1 94.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.614 -179.09 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 71' ' ' LEU . 36.0 mt -57.97 -43.17 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.355 -178.799 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -61.01 -41.16 96.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -67.09 -49.94 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.689 179.846 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' A' ' 21' ' ' PHE . 4.6 mp -57.25 -41.81 80.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.539 179.15 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.417 ' HB3' HE22 ' A' ' 30' ' ' GLN . 1.7 m120 -56.23 -48.72 75.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.644 179.2 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.886 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' ASP . 95.8 mt-30 -70.49 -43.15 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.349 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.3 t-105 -54.92 -45.5 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.427 . . . . 0.0 109.981 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.645 HD22 HD13 ' A' ' 33' ' ' LEU . 14.4 m120 -64.39 -38.05 89.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.499 179.301 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -86.06 -7.17 58.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.244 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 77' ' ' GLN . 26.5 m-20 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.64 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.31 150.03 27.27 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.86 2.373 . . . . 0.0 111.561 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.817 ' H ' HD12 ' A' ' 3' ' ' LEU . 5.3 mp -63.73 134.15 54.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.695 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.83 168.09 46.92 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 6.77 12.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.655 0.264 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 74.6 mtm -52.65 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.284 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.7 m120 53.47 43.15 31.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.319 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -72.77 164.93 25.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -79.4 144.5 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.9 p -83.79 161.23 21.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.64 -38.71 67.19 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.813 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.427 ' C ' HE21 ' A' ' 16' ' ' GLN . 99.3 m-20 -64.51 -47.77 77.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.943 0.402 . . . . 0.0 110.283 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -67.35 -37.67 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.529 0.68 . . . . 0.0 109.578 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.486 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.9 t-105 -62.95 -49.75 73.5 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -54.6 -39.11 67.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.064 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 HE21 ' C ' ' A' ' 12' ' ' ASP . 56.6 mt-30 -63.54 -43.23 97.7 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 21' ' ' PHE . 26.1 tp -61.43 -37.62 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.104 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.601 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 70.6 mttt -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.066 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.82 -43.54 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.625 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -59.98 -43.43 95.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.618 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 17' ' ' LEU . 3.6 m-30 -64.68 -46.92 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.407 0.622 . . . . 0.0 109.768 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.588 HG23 ' CB ' ' A' ' 45' ' ' ASN . 71.7 mt -58.42 -48.27 85.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.396 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.5 t -57.56 -42.88 83.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.48 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.66 90.42 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.78 -37.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.045 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.895 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.7 -25.18 38.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.893 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -71.16 -37.31 72.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.259 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -89.83 151.86 21.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -57.42 -21.32 35.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.196 0.522 . . . . 0.0 109.703 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.418 HE22 ' HB3' ' A' ' 75' ' ' ASN . 90.5 mt-30 -57.95 -14.04 5.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.198 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.887 ' O ' HG12 ' A' ' 34' ' ' VAL . 13.1 ptpt -52.25 -28.08 17.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.08 -34.8 68.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.62 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.3 mt -62.61 -44.72 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.987 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 31' ' ' LYS . 10.6 p -64.11 -35.86 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.024 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.92 99.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.31 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -74.71 -36.19 62.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.675 HD22 ' CD ' ' A' ' 46' ' ' GLN . 8.3 tt -56.11 -38.5 70.83 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.228 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 34' ' ' VAL . 26.2 p -79.71 1.35 26.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.24 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 38' ' ' THR . 2.7 m120 90.81 -36.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.371 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.493 ' O ' ' OG ' ' A' ' 40' ' ' SER . 5.5 t 170.47 51.46 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.596 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.4 OUTLIER -113.91 148.43 39.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.001 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' O ' ' O ' ' A' ' 41' ' ' ASP . 31.3 Cg_exo -52.69 -137.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.156 1.904 . . . . 0.0 112.399 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 43' ' ' ILE . 32.8 mt -81.38 28.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.068 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.636 ' C ' ' H ' ' A' ' 46' ' ' GLN . 10.9 tpt -40.48 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.637 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.707 HD21 HD21 ' A' ' 47' ' ' LEU . 6.8 p30 54.67 -0.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.286 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.675 ' CD ' HD22 ' A' ' 37' ' ' LEU . 21.5 mt-30 63.7 46.45 4.08 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.063 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.726 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 74.9 mt -43.6 -49.58 7.55 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.208 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 63.2 t0 -57.67 -62.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.515 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.19 -39.01 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.987 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.0 tt -59.85 -46.29 89.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.726 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.5 m-70 -58.1 -50.32 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.072 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 48' ' ' ASP . 41.0 mmtt -60.87 -45.97 92.45 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.231 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -57.97 -51.89 67.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.399 0.619 . . . . 0.0 110.3 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.0 tp -55.16 -50.57 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.71 -42.76 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.727 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' NE ' ' NE2' ' A' ' 57' ' ' HIS . 42.0 ttp180 -63.32 -33.11 74.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.59 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.477 ' NE2' ' NE ' ' A' ' 56' ' ' ARG . 90.9 m-70 -112.58 17.62 19.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.044 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.0 ptm180 -52.63 -34.11 49.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.867 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 60' ' ' MET . 24.7 p-10 -59.19 -27.29 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.613 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.713 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.76 -29.81 65.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 p -61.14 -28.29 69.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.479 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -73.24 -12.78 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.416 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 22.4 mttt -84.8 19.37 2.08 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.713 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.85 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.116 178.376 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.24 -1.23 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.028 0.442 . . . . 0.0 110.114 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.6 p -83.86 -172.97 4.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' O ' HD23 ' A' ' 71' ' ' LEU . 86.8 tttt -121.31 -64.76 1.2 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.81 -39.33 93.94 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.623 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.442 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 65.2 m-20 -62.53 -44.29 96.72 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.685 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 74' ' ' LEU . 57.1 mt -56.4 -44.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.392 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -56.48 -38.58 71.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.798 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.3 -45.8 92.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.027 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 3.4 mptt -63.25 -47.81 80.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.628 HD13 HG22 ' A' ' 70' ' ' ILE . 6.7 mp -58.64 -38.06 77.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.606 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.418 ' HB3' HE22 ' A' ' 30' ' ' GLN . 3.5 m120 -58.41 -47.11 84.99 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.76 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.61 -37.14 85.77 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -73.11 -38.91 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.22 -42.52 86.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 75' ' ' ASN . 21.9 m120 -60.29 -41.29 93.05 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.146 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -88.04 -17.83 30.29 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.474 -0.491 . . . . 0.0 111.739 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.778 -179.604 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -61.76 141.45 90.45 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.994 2.462 . . . . 0.0 113.061 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' A' ' 4' ' ' GLY . 6.2 mp -66.27 -36.21 82.39 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.859 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 25.3 -139.66 0.01 OUTLIER Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.689 -0.564 . . . . 0.0 111.689 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -85.88 9.25 17.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.602 -0.299 . . . . 0.0 111.658 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.652 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -121.25 -162.73 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.525 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.652 ' CB ' ' O ' ' A' ' 6' ' ' MET . 5.9 t-20 96.54 130.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.719 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -52.7 162.99 0.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -75.78 148.39 38.52 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.066 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 58.4 p -83.49 158.38 22.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.68 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -52.5 -41.31 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.473 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -65.27 -46.55 80.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.078 0.466 . . . . 0.0 110.647 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 81.2 mm-40 -64.95 -36.23 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.454 ' CD1' ' NZ ' ' A' ' 18' ' ' LYS . 2.5 t-105 -63.44 -49.43 73.75 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.038 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.465 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 87.0 m-20 -53.8 -40.16 66.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.731 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -65.5 -42.25 92.31 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD11 ' CE1' ' A' ' 21' ' ' PHE . 35.9 tp -61.6 -37.42 83.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.877 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HZ2' ' HA ' ' A' ' 15' ' ' ASN . 54.5 mttp -60.56 -45.33 94.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.894 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.497 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -63.13 -43.88 97.16 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.258 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.694 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 96.9 m-20 -61.87 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.965 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -66.53 -46.91 74.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.3 mt -57.48 -44.48 84.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.854 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 t -56.58 -42.35 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.347 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . -62.09 -35.79 91.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 21' ' ' PHE . 11.8 mm -71.29 -36.28 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.882 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -82.95 -27.68 30.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.2 0.524 . . . . 0.0 109.809 178.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 50.0 tp10 -70.01 -33.19 71.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.156 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 24' ' ' GLY . 17.5 m-20 -99.3 146.48 26.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.353 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 31' ' ' LYS . 83.4 tt0 -55.81 -22.39 24.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -49.04 -12.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.629 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 29' ' ' GLU . 6.2 ttpm? -49.06 -29.08 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.436 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.722 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 17.0 p30 -58.16 -29.93 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.722 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 71.6 mt -63.46 -37.13 86.1 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.54 -42.02 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.484 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -60.16 -46.31 90.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -67.13 -35.08 78.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.031 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD23 ' HG2' ' A' ' 46' ' ' GLN . 44.8 tp -60.75 -39.45 88.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.898 0.38 . . . . 0.0 110.672 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 35' ' ' ALA . 0.3 OUTLIER -134.19 -145.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.516 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -78.48 -162.6 0.37 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.264 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 41' ' ' ASP . 65.5 m -76.53 3.19 11.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.442 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 40' ' ' SER . 14.3 m-20 -29.97 135.13 0.19 Allowed Pre-proline 0 N--CA 1.456 -0.172 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.2 -99.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.327 2.018 . . . . 0.0 113.023 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.521 ' N ' HD13 ' A' ' 43' ' ' ILE . 5.3 mm -86.33 -10.74 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.979 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -42.51 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.645 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.694 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 2.8 m120 53.16 36.81 23.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.207 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.694 ' NE2' ' O ' ' A' ' 45' ' ' ASN . 0.8 OUTLIER 40.73 69.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 109.484 -178.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 47' ' ' LEU . 75.1 mt -53.11 -45.18 68.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.717 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -58.08 -50.49 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.588 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.1 mp -69.79 -39.65 76.47 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.143 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.0 tt -58.91 -45.05 91.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.119 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.571 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -58.93 -46.73 87.25 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -59.08 -54.4 47.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.616 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.74 -50.13 71.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.208 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.0 -42.79 80.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.742 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 56' ' ' ARG . 36.6 ttp-105 -63.14 -31.94 73.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' O ' ' CG ' ' A' ' 60' ' ' MET . 69.0 m-70 -109.79 17.34 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.4 ptm180 -53.42 -36.15 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.084 0.468 . . . . 0.0 110.134 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -58.71 -33.13 69.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.764 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.2 ppp? -58.88 -31.5 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.641 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.509 ' N ' ' HG3' ' A' ' 60' ' ' MET . 7.9 p -59.23 -26.25 64.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -74.9 -13.17 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.806 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.577 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 33.2 mtpt -87.83 25.16 1.58 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.764 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.67 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.861 178.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 mttm 61.43 -6.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.633 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.611 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 96.3 p -83.13 172.87 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.694 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 9.8 tptt -99.99 -56.81 2.28 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 111.635 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.59 -45.49 86.73 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 18.9 m-20 -59.05 -43.79 91.72 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.101 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CD1' ' O ' ' A' ' 66' ' ' SER . 30.1 mt -59.58 -42.22 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.092 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.71 -38.96 76.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -63.06 -40.77 98.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 4.3 mptt -61.43 -48.05 82.92 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.836 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 70' ' ' ILE . 7.8 mp -55.27 -41.98 72.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -57.6 -44.74 85.65 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.472 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -69.54 -41.15 76.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.408 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.32 -40.96 86.01 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.569 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 1.3 t90 -57.83 -40.85 81.0 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -61.29 -41.2 96.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.489 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 47.7 mmtt -85.49 -5.36 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 79.5 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.854 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.428 ' HB2' ' SD ' ' A' ' 6' ' ' MET . 31.6 Cg_exo -56.73 7.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.099 2.533 . . . . 0.0 112.918 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' A' ' 1' ' ' GLY . 2.1 tp 66.34 -164.09 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 111.195 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.62 -152.69 35.81 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.78 3.31 41.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.315 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.593 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 35.0 mtt -61.29 113.44 2.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.773 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.593 ' OD1' ' O ' ' A' ' 6' ' ' MET . 87.3 m-20 -148.85 43.36 0.98 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -65.14 170.61 4.37 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.583 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -78.59 139.79 38.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.287 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.0 p -83.38 162.47 21.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.465 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -55.13 -42.6 73.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.548 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -61.9 -45.02 95.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.015 0.436 . . . . 0.0 110.342 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.35 -39.3 85.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.852 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -62.72 -47.99 81.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.572 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 74.6 m-20 -54.69 -39.85 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.618 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -65.03 -42.31 94.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD11 ' CE1' ' A' ' 21' ' ' PHE . 43.3 tp -59.0 -38.89 80.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.291 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -60.45 -47.81 84.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.572 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 2.9 mp0 -59.9 -43.62 94.74 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.816 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -59.44 -43.73 93.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.3 m-30 -68.32 -46.71 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.953 0.406 . . . . 0.0 110.177 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.58 -48.8 79.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.817 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.2 m -55.93 -41.53 74.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.45 -31.1 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 21' ' ' PHE . 40.5 mm -70.71 -44.3 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.553 0.216 . . . . 0.0 111.284 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.33 -24.25 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 110.708 -179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -79.48 -43.04 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.464 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.523 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 25.8 p30 -84.97 162.38 19.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.063 0.459 . . . . 0.0 111.412 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 31' ' ' LYS . 37.6 tp10 -60.49 -28.47 68.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.534 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.758 HE22 ' CG ' ' A' ' 75' ' ' ASN . 76.1 mt-30 -49.03 -6.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.964 0.411 . . . . 0.0 110.718 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' H ' ' C ' ' A' ' 29' ' ' GLU . 53.2 tttm -58.28 -36.69 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.699 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 43.8 p-10 -61.8 -33.99 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD13 ' ND2' ' A' ' 79' ' ' ASN . 71.2 mt -67.96 -46.51 71.22 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.759 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.3 p -68.36 -30.31 47.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.691 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' O ' ' CA ' ' A' ' 39' ' ' ASN . . . -62.74 -44.94 94.91 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.837 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.88 -33.74 75.31 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.337 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.011 HD22 ' OE1' ' A' ' 46' ' ' GLN . 6.8 tt -63.88 -45.74 88.03 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.617 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 t -128.7 22.02 5.92 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.954 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.657 ' CA ' ' O ' ' A' ' 35' ' ' ALA . 65.5 t30 72.61 178.62 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.5 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.591 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 69.9 p -53.57 147.0 11.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.654 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.591 ' OD1' ' O ' ' A' ' 40' ' ' SER . 35.2 m-20 -174.76 135.73 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.122 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -68.62 -85.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.042 1.828 . . . . 0.0 111.232 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.61 HD12 ' N ' ' A' ' 44' ' ' MET . 1.2 pp -107.11 -16.72 8.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.774 0.321 . . . . 0.0 110.542 179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.61 ' N ' HD12 ' A' ' 43' ' ' ILE . 9.2 tpt -50.39 -42.11 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.111 0.482 . . . . 0.0 109.813 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.556 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 81.2 m-20 21.4 51.6 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.03 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 1.011 ' OE1' HD22 ' A' ' 37' ' ' LEU . 16.6 pt20 47.8 64.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.26 0.553 . . . . 0.0 111.014 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.562 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 46.8 mt -55.43 -44.28 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.78 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.47 -52.27 65.9 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' H ' HD12 ' A' ' 49' ' ' LEU . 6.2 mp -66.75 -40.07 88.15 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.301 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.1 tt -59.03 -45.73 89.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.007 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 24.4 m170 -58.16 -47.32 83.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.296 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -60.62 -48.97 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.067 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -57.25 -49.01 77.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.797 0.808 . . . . 0.0 109.077 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.85 -52.86 63.44 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.275 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.13 -41.54 79.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -59.64 -31.59 69.66 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.616 0.246 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.476 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.3 m-70 -114.14 23.31 13.02 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.651 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.656 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.3 ptm180 -54.14 -34.34 60.13 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.71 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.4 p30 -61.25 -29.03 69.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.031 0.443 . . . . 0.0 110.708 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.712 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.4 ptt? -56.79 -29.74 62.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.956 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.656 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 31.4 p -58.07 -28.03 64.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -76.05 -12.55 60.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.563 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtpp -86.16 19.85 2.53 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.712 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.44 -40.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.147 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mttp 60.77 32.19 20.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.0 p -150.59 136.32 18.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.139 0.495 . . . . 0.0 110.473 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.602 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 42.4 tttp -63.21 -52.05 63.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -60.98 -38.8 87.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -63.08 -46.11 88.93 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.777 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 64' ' ' TRP . 96.9 mt -57.9 -48.65 83.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.494 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.602 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 56.4 mt -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.774 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -59.09 -47.7 84.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.038 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 10.2 mmtm -63.25 -49.91 72.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.353 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.1 mp -58.84 -39.35 81.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.758 ' CG ' HE22 ' A' ' 30' ' ' GLN . 8.1 m120 -52.64 -48.09 66.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.59 -40.62 88.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.408 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 81' ' ' ASP . 71.4 mt-30 -70.87 -36.18 72.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.644 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.1 t-105 -56.43 -45.54 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.547 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.543 ' ND2' HD13 ' A' ' 33' ' ' LEU . 2.8 m120 -69.2 -42.3 75.95 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.64 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -82.78 2.84 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.154 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 77' ' ' GLN . 76.0 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.835 -1.078 . . . . 0.0 110.466 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.07 143.65 49.8 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 123.478 2.786 . . . . 0.0 112.777 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.4 mt -94.73 128.0 41.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.049 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.26 162.78 36.98 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.651 ' C ' ' H ' ' A' ' 7' ' ' ASN . 53.4 p -80.64 3.09 23.14 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 77.9 mtm -47.63 -3.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.996 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.651 ' H ' ' C ' ' A' ' 5' ' ' SER . 51.3 p-10 -66.36 -175.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.596 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -86.6 170.06 12.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.434 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -72.39 139.89 48.09 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' TRP . 49.6 p -85.61 164.46 17.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.908 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.616 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 64.3 m-20 -54.86 -39.85 69.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.087 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 83.7 m-20 -69.73 -42.69 73.65 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.584 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 97.9 mt-10 -66.33 -41.1 90.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.659 0.743 . . . . 0.0 109.473 178.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.706 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 3.1 t-105 -64.64 -49.29 71.61 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.35 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 78.4 m-20 -54.43 -40.98 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.035 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 2.9 mt-30 -66.34 -43.97 84.59 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.706 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 56.1 tp -57.67 -39.16 76.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.126 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 21.7 mttt -58.63 -45.95 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.877 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -60.58 -43.68 97.08 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.608 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.63 -45.25 94.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.471 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.2 m-30 -63.83 -46.81 83.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.664 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.612 ' CG2' HD22 ' A' ' 45' ' ' ASN . 58.3 mt -57.81 -49.49 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.576 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.707 ' HA ' HD23 ' A' ' 26' ' ' LEU . 21.4 m -55.36 -42.88 74.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.868 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -55.53 -36.47 64.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.1 mm -76.27 -31.28 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -75.87 -33.08 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 110.01 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 87.1 mt-10 -78.87 -34.74 44.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.689 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 62.0 m-20 -78.65 164.71 24.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.273 0.559 . . . . 0.0 112.032 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -66.72 -26.62 67.09 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.599 ' OE1' ' OD1' ' A' ' 75' ' ' ASN . 55.8 mt-30 -50.48 -14.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.198 -1.365 . . . . 0.0 111.18 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.9 ttpm? -54.98 -40.07 69.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.095 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.44 -33.87 76.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 33' ' ' LEU . 16.4 tp -66.1 -43.92 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.488 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG23 ' OE1' ' A' ' 46' ' ' GLN . 7.7 p -69.4 -33.44 57.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.115 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.68 82.58 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -67.54 -36.62 81.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.903 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD22 ' CD ' ' A' ' 46' ' ' GLN . 7.4 tt -62.49 -35.96 80.99 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.758 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.609 ' O ' ' C ' ' A' ' 39' ' ' ASN . 10.0 m -108.98 122.27 46.89 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.318 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.609 ' C ' ' O ' ' A' ' 38' ' ' THR . 37.6 t30 18.52 -108.95 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.225 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t -139.25 34.4 2.09 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.34 146.27 93.22 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.454 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 57.4 Cg_endo -76.71 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 123.112 2.542 . . . . 0.0 111.512 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 45' ' ' ASN . 78.6 mt -94.74 -77.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.797 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.664 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 19.2 ttt 36.66 -77.56 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.545 0.212 . . . . 0.0 111.176 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.758 ' N ' ' O ' ' A' ' 43' ' ' ILE . 13.8 m-20 92.68 22.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.686 ' CD ' HD22 ' A' ' 37' ' ' LEU . 34.9 mt-30 65.1 45.33 3.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.492 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.702 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 27.2 mt -43.52 -56.94 3.37 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.364 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -60.11 -56.26 23.77 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 49' ' ' LEU . 77.9 mt -65.53 -41.97 92.51 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.34 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.6 tt -58.94 -44.69 91.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.024 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 14.1 m170 -58.07 -46.07 86.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.859 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -60.4 -49.82 76.04 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.012 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -54.64 -53.32 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.395 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.7 tp -57.83 -51.54 69.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.032 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.47 -47.92 75.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.607 0.241 . . . . 0.0 111.56 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.726 0.298 . . . . 0.0 110.598 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.608 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -106.88 10.58 30.56 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.458 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.653 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.3 ptm180 -49.65 -35.61 21.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.131 0.491 . . . . 0.0 111.064 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.58 -34.32 64.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.486 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.698 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.94 -29.72 63.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.122 -179.098 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.653 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.8 p -59.27 -29.25 67.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.287 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 85.5 mt-10 -76.63 -10.88 59.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 61.2 mttp -86.29 21.61 2.02 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.698 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.37 -46.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.449 178.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 61.61 46.79 6.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.413 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 p -149.71 118.41 6.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.187 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -50.58 -62.45 1.59 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.23 -40.53 90.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 15.0 t0 -62.28 -45.18 94.43 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.537 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 64' ' ' TRP . 47.8 mt -60.17 -42.62 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.703 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt -58.85 -42.52 89.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -59.75 -43.12 94.4 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 12.4 mmtt -59.5 -51.52 69.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.807 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 3.9 mp -57.5 -39.59 76.8 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.427 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.599 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 87.0 m-20 -55.58 -43.92 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.62 -42.46 82.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.157 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -70.36 -41.13 73.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.184 0.516 . . . . 0.0 110.444 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.7 t-105 -54.56 -45.42 73.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.951 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -77.55 -34.13 53.91 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.449 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -58.16 -35.64 71.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.981 0.42 . . . . 0.0 109.91 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t0 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.591 178.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.474 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 46.7 Cg_endo -92.77 -21.85 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.539 2.826 . . . . 0.0 111.646 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.566 HD22 HD22 ' A' ' 7' ' ' ASN . 76.8 mt -86.31 -44.05 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.944 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . 32.48 -157.84 0.01 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -73.12 5.58 3.34 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.766 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 7' ' ' ASN . 1.6 ptt? -104.23 8.13 36.11 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.063 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.575 ' C ' ' O ' ' A' ' 6' ' ' MET . 26.3 t-20 -24.29 128.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.84 0.353 . . . . 0.0 110.363 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -77.73 152.7 33.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.03 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.485 ' CE1' ' SG ' ' A' ' 61' ' ' CYS . 67.6 m-85 -86.32 145.74 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.7 p -87.19 159.32 18.9 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -54.68 -40.29 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.427 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -64.62 -45.78 85.38 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.289 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -65.55 -38.38 89.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.477 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 2.8 t-105 -63.34 -48.26 78.74 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.729 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 98.3 m-20 -55.16 -39.03 69.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.214 0.53 . . . . 0.0 109.746 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -62.8 -43.37 98.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 21' ' ' PHE . 21.8 tp -64.81 -37.41 87.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.382 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . 42.2 mttt -59.08 -45.48 90.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.703 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.688 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -64.37 -40.56 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -60.36 -46.64 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.326 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 25' ' ' ILE . 4.3 m-30 -61.58 -50.35 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 47' ' ' LEU . 92.8 mt -57.3 -50.59 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.953 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 8.5 t -54.42 -39.44 67.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.557 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.28 80.84 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 21' ' ' PHE . 18.2 mm -72.91 -43.11 60.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 120.883 0.373 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.891 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -77.07 -30.2 55.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.887 178.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' SER . 40.3 tp10 -75.7 -29.26 58.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.772 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 30' ' ' GLN . 77.2 m-20 -101.45 153.32 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.138 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.628 ' NE2' ' ND2' ' A' ' 75' ' ' ASN . 73.7 mt-30 -47.42 -24.25 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.822 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 3.3 pttm -49.58 -36.11 22.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.047 0.451 . . . . 0.0 109.97 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.61 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 92.9 m-20 -59.96 -41.29 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.101 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.685 HD23 ' ND2' ' A' ' 79' ' ' ASN . 8.7 mp -61.68 -38.81 89.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.871 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -43.0 93.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.656 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -59.53 -38.05 80.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -63.14 -48.25 79.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.887 0.375 . . . . 0.0 110.72 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 37' ' ' LEU . 8.8 tt -69.27 -44.75 71.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.922 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.509 ' O ' ' O ' ' A' ' 35' ' ' ALA . 27.7 p -84.7 154.79 22.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.894 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -97.86 -85.72 0.36 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 76.9 p -92.04 5.65 49.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.444 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -117.26 89.14 30.16 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.547 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -80.33 -68.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.636 2.224 . . . . 0.0 112.243 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.579 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 78.5 mt -62.64 -23.94 34.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.3 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.563 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 10.7 ttt -57.66 -23.89 53.76 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.002 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.579 ' OD1' ' O ' ' A' ' 43' ' ' ILE . 1.5 p-10 47.38 35.64 4.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.755 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.572 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 2.0 pt20 48.69 54.95 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.263 0.554 . . . . 0.0 110.118 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.484 ' HG ' HD21 ' A' ' 45' ' ' ASN . 6.4 mt -47.59 -48.1 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.601 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 74.7 m-20 -58.42 -52.08 67.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.538 -178.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.725 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.1 mm? -66.7 -41.18 88.43 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.139 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -59.14 -44.19 92.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.559 -178.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.453 ' NE2' ' CD2' ' A' ' 47' ' ' LEU . 23.7 m170 -59.55 -46.91 87.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.699 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 59.4 mttp -60.76 -48.83 80.03 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.288 0.566 . . . . 0.0 109.637 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.53 -54.3 45.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.395 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.2 tp -55.62 -49.16 73.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.175 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -55.5 -43.16 75.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -63.0 -31.57 72.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.524 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.643 ' O ' ' SD ' ' A' ' 60' ' ' MET . 86.7 m-70 -112.91 20.03 16.77 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -55.49 -34.44 64.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 0.0 111.761 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.536 ' O ' ' OE1' ' A' ' 62' ' ' GLU . 77.0 m-20 -58.36 -28.25 64.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.828 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.73 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.9 ptm -55.59 -35.18 65.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.947 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.633 ' SG ' ' CD ' ' A' ' 62' ' ' GLU . 30.4 p -61.99 -29.84 70.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.246 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.633 ' CD ' ' SG ' ' A' ' 61' ' ' CYS . 58.9 mp0 -76.39 -13.72 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.606 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.94 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.287 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.73 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -84.6 -33.1 23.43 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.467 179.555 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? 58.52 -7.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.756 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.688 ' H ' ' C ' ' A' ' 64' ' ' TRP . 3.1 p -85.42 157.07 20.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.209 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 17.1 tttp -93.12 -63.16 1.25 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.164 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.643 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 41.7 mp0 -60.56 -37.36 81.0 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.063 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 83.3 m-20 -63.28 -44.7 94.35 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.921 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.551 HG22 HD13 ' A' ' 74' ' ' LEU . 86.0 mt -60.53 -39.9 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 90.6 mt -56.95 -41.74 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.4 -43.19 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.345 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -60.67 -50.38 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 70' ' ' ILE . 7.5 mp -56.06 -44.06 78.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.112 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.628 ' ND2' ' NE2' ' A' ' 30' ' ' GLN . 24.1 m-20 -55.46 -44.83 76.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.473 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.22 -41.39 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.6 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.69 -41.86 74.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.079 0.466 . . . . 0.0 110.321 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.448 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.7 t-105 -59.27 -39.25 82.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.93 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.685 ' ND2' HD23 ' A' ' 33' ' ' LEU . 3.2 m120 -72.94 -41.99 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -63.01 -41.93 99.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.136 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.498 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 13.1 t0 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.001 -1.0 . . . . 0.0 111.169 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -47.86 141.38 16.62 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.15 1.9 . . . . 0.0 112.014 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.3 tp 46.66 21.27 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.654 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.8 149.56 46.58 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.535 ' C ' ' H ' ' A' ' 7' ' ' ASN . 47.5 m -70.39 -8.43 50.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.324 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -60.12 -3.02 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 5' ' ' SER . 23.8 t-20 -100.9 124.84 47.19 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.352 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -105.93 -173.23 2.25 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.787 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -77.08 145.09 38.08 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.075 0.464 . . . . 0.0 111.673 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -83.69 159.7 21.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.305 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.519 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 88.3 m-20 -55.92 -41.45 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.385 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.678 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 65.3 m-20 -65.65 -45.04 84.47 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.824 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -66.1 -42.95 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.34 0.591 . . . . 0.0 109.79 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.476 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.3 t-105 -60.54 -45.73 92.81 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.01 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 90.5 m-20 -54.0 -40.71 67.21 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.655 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.678 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -63.86 -42.65 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.8 tp -62.34 -35.4 78.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.827 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 14' ' ' TRP . 68.0 mttt -58.27 -44.03 88.21 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.804 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.83 -41.75 98.17 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.724 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.94 -40.4 84.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.68 ' CE2' HD21 ' A' ' 74' ' ' LEU . 4.4 m-30 -65.84 -45.33 82.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD11 HD21 ' A' ' 47' ' ' LEU . 97.9 mt -59.55 -45.77 93.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.731 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -57.64 -45.62 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.675 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.92 -30.31 74.94 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.539 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 5.6 mm -70.63 -38.27 72.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.797 0.332 . . . . 0.0 110.616 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.849 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -73.26 -35.76 66.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -89.91 157.73 17.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.424 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -57.11 -25.25 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -50.45 -12.57 0.1 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.512 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 42' ' ' PRO . 40.7 tttp -56.49 -35.64 68.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.269 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.714 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 31.6 p30 -60.77 -36.07 78.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.909 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.714 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 40.6 tp -66.85 -49.0 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.664 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -65.01 -31.08 52.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.372 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.68 -54.28 48.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -57.31 -38.11 73.53 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.837 0.351 . . . . 0.0 110.548 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.936 HD13 ' OE1' ' A' ' 46' ' ' GLN . 9.3 tt -56.24 -40.17 73.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.045 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.546 HG22 ' N ' ' A' ' 39' ' ' ASN . 11.4 m -121.06 -82.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.68 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.613 ' C ' ' H ' ' A' ' 41' ' ' ASP . 50.3 t30 -165.23 -177.75 4.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -67.6 27.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.37 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.613 ' H ' ' C ' ' A' ' 39' ' ' ASN . 76.8 m-20 -69.84 113.72 19.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.992 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.564 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 43.1 Cg_exo -49.32 -74.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.682 2.255 . . . . 0.0 112.578 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 45' ' ' ASN . 20.5 mm -89.87 -75.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.758 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.751 ' HG2' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -43.6 81.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.371 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.699 ' N ' ' O ' ' A' ' 43' ' ' ILE . 65.1 m-20 -112.21 92.84 4.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.105 0.478 . . . . 0.0 110.51 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.936 ' OE1' HD13 ' A' ' 37' ' ' LEU . 12.7 pt20 48.54 59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.391 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD12 ' HG2' ' A' ' 44' ' ' MET . 8.8 mt -60.17 -45.65 92.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.829 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.74 -51.34 70.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.698 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.2 mt -66.68 -41.21 88.46 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.448 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.3 tt -58.28 -44.4 88.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.98 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.3 m170 -59.81 -46.55 88.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.281 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.19 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.252 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -58.19 -49.17 78.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 21' ' ' PHE . 19.9 tp -58.88 -54.74 43.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.233 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 28.3 m-20 -56.72 -41.17 76.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.225 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.502 HH11 ' HG3' ' A' ' 56' ' ' ARG . 39.2 ttm-85 -60.54 -32.89 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.36 -179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.61 ' O ' ' CG ' ' A' ' 60' ' ' MET . 84.5 m-70 -114.54 24.69 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.572 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 8.9 ptm180 -53.15 -33.7 53.62 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.94 -25.66 65.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.632 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.745 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.06 -33.36 67.16 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.608 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.9 p -66.73 -30.33 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.208 0.528 . . . . 0.0 110.28 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 74.9 mm-40 -74.55 -29.05 61.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -75.48 -44.97 41.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.745 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -127.36 49.22 2.12 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.8 179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' TRP . 37.1 tttt -35.44 82.09 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.79 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.677 ' N ' ' O ' ' A' ' 64' ' ' TRP . 26.0 p -153.04 166.5 32.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -100.29 -69.64 0.76 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -61.88 -37.66 85.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 111.033 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.463 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -61.39 -51.36 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.652 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 66' ' ' SER . 34.7 mt -60.23 -43.82 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.639 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.663 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 79.6 mt -55.37 -40.59 71.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.699 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.473 ' HD1' ' C ' ' A' ' 72' ' ' HIS . 1.2 t-80 -61.78 -45.39 94.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtm -60.73 -51.51 69.06 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.43 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.68 HD21 ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -58.01 -39.46 78.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.511 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.663 ' ND2' ' O ' ' A' ' 71' ' ' LEU . 3.6 m120 -55.15 -46.63 75.7 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.312 0.577 . . . . 0.0 109.935 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 94.4 mt-10 -64.63 -39.51 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.332 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.43 -35.72 58.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.348 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.539 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 4.4 t-105 -55.31 -41.55 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.826 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -58.52 -38.17 77.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.434 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 81' ' ' ASP . 25.1 mttm -58.95 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.727 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.501 ' O ' ' O ' ' A' ' 80' ' ' LYS . 65.1 t0 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.558 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -61.05 152.65 69.85 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.087 2.524 . . . . 0.0 112.465 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.813 ' H ' HD12 ' A' ' 3' ' ' LEU . 3.6 mp -80.03 142.34 35.06 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.62 -143.3 4.0 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -65.1 -5.11 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.98 0.419 . . . . 0.0 110.07 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 6' ' ' MET . 1.7 mpp? -90.75 -24.28 20.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.594 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -59.24 140.28 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.397 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -76.78 -178.0 4.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.711 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -74.21 149.74 40.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.04 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.1 p -85.03 159.88 20.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.243 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -54.54 -40.57 68.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.776 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.23 -43.95 76.82 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 99.0 mt-10 -65.16 -40.24 94.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 109.184 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.503 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.6 t-105 -63.41 -48.4 77.97 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.765 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.593 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 7.1 m120 -56.23 -43.89 79.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.989 0.423 . . . . 0.0 111.024 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 1.8 mt-30 -61.38 -41.61 97.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 34.4 tp -62.22 -39.89 94.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.436 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.4 mttt -57.62 -42.09 82.64 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.076 0.465 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.593 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 4.2 mp0 -64.41 -39.59 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.12 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.629 ' OD2' ' NZ ' ' A' ' 67' ' ' LYS . 90.4 m-20 -58.55 -42.88 88.88 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.933 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 54' ' ' LEU . 29.3 m-85 -63.85 -50.46 68.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.595 HG23 ' ND2' ' A' ' 45' ' ' ASN . 77.7 mt -58.08 -42.21 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.6 m -58.48 -49.95 75.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.553 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.57 75.45 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.672 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.455 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 4.7 mm -71.76 -46.41 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.653 -0.322 . . . . 0.0 110.82 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.744 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -80.26 -28.12 38.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.482 179.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -72.84 -44.77 61.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.576 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -88.86 167.23 13.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.127 0.489 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' A' ' 31' ' ' LYS . 46.2 tp10 -59.37 -23.64 62.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.802 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HA ' HD13 ' A' ' 33' ' ' LEU . 53.3 mm-40 -50.54 -7.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.279 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.556 ' H ' ' C ' ' A' ' 29' ' ' GLU . 15.1 pttp -60.01 -30.38 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.752 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -58.53 -35.85 72.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 33' ' ' LEU . 8.3 mp -62.74 -36.89 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.768 HG22 HE22 ' A' ' 46' ' ' GLN . 0.9 OUTLIER -68.22 -37.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.636 ' O ' ' ND2' ' A' ' 39' ' ' ASN . . . -61.65 -43.21 99.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.202 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -63.24 -43.25 98.6 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.616 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -62.24 -41.67 98.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -152.58 100.82 2.59 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.501 0.667 . . . . 0.0 111.395 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.636 ' ND2' ' O ' ' A' ' 35' ' ' ALA . 17.8 m120 -66.95 150.62 48.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.878 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 80.97 -12.43 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.198 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.661 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -124.91 79.2 64.92 Favored Pre-proline 0 C--N 1.333 -0.135 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.53 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -79.52 -64.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 123.045 2.497 . . . . 0.0 112.308 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.681 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 73.4 mt -63.03 -27.26 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.113 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.8 tpt -56.82 -34.82 68.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.133 0.492 . . . . 0.0 109.715 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 55.9 m-80 44.12 29.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.47 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.768 HE22 HG22 ' A' ' 34' ' ' VAL . 11.2 pm0 45.05 64.43 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.889 0.852 . . . . 0.0 109.831 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.691 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.3 mt -48.56 -48.13 38.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.121 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.583 ' CG ' HD12 ' A' ' 49' ' ' LEU . 29.9 p-10 -59.78 -53.67 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.583 HD12 ' CG ' ' A' ' 48' ' ' ASP . 7.1 mp -69.56 -41.98 75.17 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 50' ' ' LEU . 7.5 tt -58.5 -44.04 89.28 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.839 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.691 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 13.0 m-70 -58.32 -49.58 76.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.56 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -58.16 -43.17 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -58.35 -54.95 41.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.658 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 21' ' ' PHE . 9.5 tp -56.72 -52.44 64.97 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.757 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -56.42 -43.6 79.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.134 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 13.2 ttm105 -63.24 -31.53 72.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.746 0.308 . . . . 0.0 110.965 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.9 m-70 -112.85 17.57 18.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.378 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.576 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.3 ptm180 -50.28 -34.09 22.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.086 0.47 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.39 -31.33 67.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.645 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.73 -27.42 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 0.0 111.054 179.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.576 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.0 p -61.61 -29.54 70.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.576 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 98.9 mt-10 -77.57 -12.0 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 30.0 mtmt -84.69 23.06 1.21 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.724 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.03 -45.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.638 178.737 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttm 67.71 -19.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.605 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.8 p -86.34 123.84 32.03 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.629 ' NZ ' ' OD2' ' A' ' 20' ' ' ASP . 7.1 tptm -58.56 -51.91 67.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.304 -178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -56.83 -40.9 76.88 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.037 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 46.7 m-20 -62.24 -43.49 98.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.123 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.498 HG12 ' CD1' ' A' ' 64' ' ' TRP . 73.5 mt -58.05 -50.45 78.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.731 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 mt -55.33 -42.73 74.2 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -60.12 -44.97 94.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.497 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -64.69 -48.7 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.025 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 3.5 mp -57.57 -40.34 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -56.07 -44.4 78.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -67.19 -41.0 86.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.7 -36.66 78.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.318 0.58 . . . . 0.0 109.69 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.455 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.2 t-105 -56.8 -49.05 76.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.875 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -70.14 -34.39 72.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.375 0.607 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -64.58 -36.77 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.038 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.87 -179.09 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -53.09 -58.73 1.31 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.458 2.105 . . . . 0.0 112.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.3 tp -80.88 -59.43 2.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.02 175.05 29.52 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.09 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.56 ' O ' ' C ' ' A' ' 6' ' ' MET . 85.0 p -79.56 -15.42 57.72 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 110.521 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.56 ' C ' ' O ' ' A' ' 5' ' ' SER . 46.5 mtt -22.72 114.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.033 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.583 ' OD1' ' O ' ' A' ' 7' ' ' ASN . 38.6 p-10 -167.54 139.76 3.22 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.9 0.381 . . . . 0.0 111.101 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -87.99 173.63 8.78 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.912 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -75.72 145.31 40.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.554 . . . . 0.0 111.446 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 18.1 p -80.73 158.0 25.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.644 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -54.22 -40.95 68.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.728 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 87.6 m-20 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.684 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 77.9 mm-40 -64.16 -39.37 93.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.745 0.783 . . . . 0.0 109.412 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.487 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -62.95 -48.34 79.31 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.357 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.505 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 84.3 m-20 -54.37 -42.33 70.2 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.279 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.588 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -64.51 -43.31 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.615 HD11 ' CE1' ' A' ' 21' ' ' PHE . 52.1 tp -60.92 -36.45 79.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.269 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 22.8 mttm -61.72 -46.77 88.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.584 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.615 HE21 HD12 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -60.14 -40.08 88.57 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.489 -179.502 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -61.96 -44.57 96.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.793 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -63.71 -43.55 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.839 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.3 mt -58.38 -45.13 89.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -58.57 -45.32 89.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.621 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.1 63.47 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.498 HD11 ' CE3' ' A' ' 78' ' ' TRP . 19.5 mm -74.6 -43.79 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.81 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.13 -29.4 62.87 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.147 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.17 -40.77 44.2 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' HB3' HE21 ' A' ' 30' ' ' GLN . 86.6 m-20 -82.77 159.02 22.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.444 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.0 tt0 -57.0 -24.31 52.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.6 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -51.91 -10.89 0.13 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.823 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' HG12 ' A' ' 34' ' ' VAL . 40.0 ttpt -56.44 -38.09 71.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.342 0.592 . . . . 0.0 111.532 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 12.3 t70 -66.79 -39.9 87.94 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.213 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.713 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 86.0 mt -60.74 -45.69 93.32 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.359 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.657 HG23 ' NE2' ' A' ' 46' ' ' GLN . 10.3 p -64.81 -30.04 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.843 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.558 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -60.01 -47.02 87.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.212 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -63.37 -36.88 85.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.178 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.539 HD23 ' CD ' ' A' ' 46' ' ' GLN . 19.5 tp -57.55 -47.43 82.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.22 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.558 ' O ' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -109.47 160.75 15.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.861 0.363 . . . . 0.0 110.368 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -88.3 119.64 28.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.168 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.537 ' O ' ' C ' ' A' ' 41' ' ' ASP . 28.6 t 62.54 -78.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.426 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -29.74 98.38 0.1 Allowed Pre-proline 0 N--CA 1.465 0.319 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.492 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.66 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 73.1 Cg_endo -92.09 -66.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 123.062 2.508 . . . . 0.0 112.209 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -56.12 -36.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.805 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.525 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 11.6 ttt -48.78 -36.03 15.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.707 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.839 ' OD1' HG23 ' A' ' 22' ' ' ILE . 2.6 m120 55.58 34.31 22.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.585 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.716 ' NE2' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 52.94 45.67 28.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.515 0.674 . . . . 0.0 110.055 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 6.3 mt -29.22 -54.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -60.07 -54.74 42.42 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.492 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.9 tt -57.37 -44.43 84.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 19.4 m170 -57.98 -46.55 84.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.279 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.66 -48.38 82.04 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.432 ' CH2' ' OE1' ' A' ' 77' ' ' GLN . 69.4 t90 -56.05 -52.6 63.69 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.14 -52.21 66.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.254 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.63 -41.97 67.29 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.144 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -62.46 -33.66 75.27 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.577 ' O ' ' CG ' ' A' ' 60' ' ' MET . 76.7 m-70 -110.79 19.76 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.301 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.725 0.297 . . . . 0.0 111.334 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -57.37 -34.48 68.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.309 0.576 . . . . 0.0 109.988 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.735 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.4 ppp? -60.5 -28.07 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.939 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 11.2 p -60.03 -28.03 67.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.449 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -76.82 -13.12 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.274 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.548 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 91.4 mttt -82.15 20.42 1.03 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.564 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.735 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -164.22 -34.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.788 178.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.32 -6.27 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 64' ' ' TRP . 78.0 p -89.49 174.92 7.52 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.497 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.72 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 16.2 tttm -112.24 -53.0 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.69 -37.65 87.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -65.46 -44.23 87.84 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.188 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 66' ' ' SER . 65.5 mt -61.93 -40.58 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.203 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.72 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 83.4 mt -58.08 -41.4 83.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.565 ' CE1' ' OE2' ' A' ' 76' ' ' GLU . 11.3 t-80 -61.28 -39.5 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 110.164 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -61.83 -48.15 81.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.685 178.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.9 mp -57.92 -40.38 80.28 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.65 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -57.37 -48.05 80.06 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.369 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.565 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 96.4 mt-10 -65.01 -39.15 93.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.546 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 89.1 mt-30 -70.46 -38.71 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.345 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.531 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 1.1 t-105 -56.69 -46.62 81.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.391 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.713 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 4.0 m120 -65.35 -39.73 92.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' ASP . 27.0 mtpt -83.71 1.78 40.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.658 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' CG ' ' O ' ' A' ' 78' ' ' TRP . 76.9 m-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.723 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -53.21 140.03 62.12 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.773 2.315 . . . . 0.0 112.252 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 3' ' ' LEU . 6.9 mp -64.81 -34.03 77.4 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 35.82 -146.35 0.06 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.493 ' O ' ' O ' ' A' ' 6' ' ' MET . 51.4 p -92.87 10.2 32.12 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.346 0.128 . . . . 0.0 111.346 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.585 ' O ' ' O ' ' A' ' 7' ' ' ASN . 16.9 mtt -43.78 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.691 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.585 ' O ' ' O ' ' A' ' 6' ' ' MET . 0.4 OUTLIER 28.65 -151.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.652 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' ASN . 97.4 mttt -50.19 -179.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -74.1 151.04 40.22 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.029 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.406 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 27.7 p -85.22 160.36 19.9 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.702 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.468 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 53.2 m-20 -55.07 -40.54 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.281 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.57 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 79.9 m-20 -66.78 -45.45 78.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.983 0.42 . . . . 0.0 110.708 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 93.5 mt-10 -63.9 -39.76 94.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.567 0.699 . . . . 0.0 109.422 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.487 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.1 t-105 -62.47 -45.38 93.33 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.316 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.544 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.5 m120 -55.75 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.69 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.614 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -63.93 -41.91 97.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -59.72 -38.65 82.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.699 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 24.7 mttt -61.22 -45.78 93.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.49 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.694 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 2.5 mp0 -61.18 -44.2 97.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.71 -42.11 96.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CD1' HD11 ' A' ' 71' ' ' LEU . 5.6 m-30 -67.02 -45.22 78.17 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.64 -42.99 86.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.172 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 m -56.6 -41.91 77.84 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.512 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . -61.14 -32.23 79.74 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mm -73.08 -37.95 54.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.345 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.801 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.52 -29.24 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 75.4 mm-40 -75.99 -34.62 59.76 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.537 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.522 HD21 ' HB3' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -95.34 168.41 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.346 0.594 . . . . 0.0 111.548 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.07 -25.98 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.32 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.522 ' HB3' HD21 ' A' ' 28' ' ' ASN . 4.6 tt0 -54.05 -15.76 1.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.798 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -57.7 -38.32 75.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.428 0.632 . . . . 0.0 109.784 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -61.11 -44.87 96.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.035 179.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 tp -55.21 -39.65 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.342 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.492 HG11 ' ND2' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -64.83 -37.1 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.13 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.59 87.89 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.467 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 30.7 mmtp -62.75 -41.17 99.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.272 0.558 . . . . 0.0 109.604 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.024 HD13 ' OE1' ' A' ' 46' ' ' GLN . 6.7 tt -68.81 -45.25 71.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.96 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.2 p -84.99 167.41 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 40' ' ' SER . 12.0 p-10 -102.69 -39.86 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.442 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 16.0 t -146.27 34.69 0.98 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.636 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.417 ' OD2' ' SD ' ' A' ' 44' ' ' MET . 2.6 m-20 -115.5 110.3 45.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -84.57 -71.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.092 1.861 . . . . 0.0 111.31 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 45' ' ' ASN . 98.5 mt -79.82 -44.27 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.711 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.8 mtp -32.19 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.161 0.505 . . . . 0.0 109.886 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.612 ' N ' ' O ' ' A' ' 43' ' ' ILE . 7.7 m120 44.33 43.55 6.11 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.549 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 1.024 ' OE1' HD13 ' A' ' 37' ' ' LEU . 16.6 pt20 49.24 58.5 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.676 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 25.8 mt -48.51 -49.38 36.16 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.566 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 14.5 p-10 -61.16 -56.22 23.28 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB2' HE21 ' A' ' 46' ' ' GLN . 64.1 mt -61.75 -40.35 94.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.666 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.9 tt -58.94 -45.4 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.984 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 15.4 m170 -61.06 -45.97 92.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.319 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -59.98 -48.09 83.13 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.58 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.805 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.9 tp -58.24 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.665 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -56.97 -43.24 81.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.374 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -60.89 -33.71 73.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.555 ' O ' ' CG ' ' A' ' 60' ' ' MET . 88.2 m-70 -116.04 23.32 12.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.9 ptm180 -52.55 -33.3 44.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.087 0.47 . . . . 0.0 110.225 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.698 ' OD1' ' N ' ' A' ' 60' ' ' MET . 45.2 p-10 -58.66 -28.89 66.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.484 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.708 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.64 -27.47 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -179.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 22.0 p -62.01 -28.24 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.741 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.72 -14.83 61.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.78 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 23.6 mttp -84.61 17.94 2.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.755 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.708 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.39 -44.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.163 178.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp 64.05 0.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 70' ' ' ILE . 79.1 p -84.33 166.34 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 71' ' ' LEU . 23.4 tttm -98.15 -70.77 0.71 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.34 -40.13 85.35 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.673 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 29.2 t0 -61.97 -41.98 98.61 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 66' ' ' SER . 48.2 mt -58.78 -46.43 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.29 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 8.2 mp -55.21 -37.75 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.238 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -62.35 -46.8 87.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.337 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.673 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 13.2 mmtm -61.33 -50.73 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 74' ' ' LEU . 6.0 mp -56.11 -41.84 75.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.244 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.511 ' ND2' HE22 ' A' ' 30' ' ' GLN . 6.3 m120 -55.0 -42.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.438 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -66.05 -43.16 88.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.545 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 94.4 mm-40 -71.9 -36.68 70.09 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.759 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -55.06 -43.33 73.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -64.16 -36.56 84.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.897 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.8 -6.35 58.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.404 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 1.4 m-20 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.399 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -60.07 160.29 22.95 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.974 2.449 . . . . 0.0 112.303 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.5 tp 64.88 -93.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.516 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.12 -166.2 29.59 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -55.62 -32.6 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.547 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 75.6 mtm -71.06 115.67 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.241 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.879 ' H ' HD22 ' A' ' 7' ' ' ASN . 0.0 OUTLIER -140.93 86.11 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.104 -179.529 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -69.76 -178.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.078 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -77.82 134.31 38.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.286 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.1 p -85.61 162.46 18.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.773 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.649 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 94.7 m-20 -54.04 -40.16 66.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.803 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -65.39 -48.69 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.418 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.04 -39.89 95.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.396 0.617 . . . . 0.0 109.487 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 6.9 t-105 -63.82 -49.4 72.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.541 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.649 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 85.0 m-20 -55.1 -38.64 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.089 0.471 . . . . 0.0 110.557 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -63.37 -42.61 98.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.94 -37.92 84.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.244 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 28.8 mttt -59.28 -44.97 92.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.578 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -62.23 -41.7 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.762 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.38 -43.57 92.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.681 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.1 m-30 -65.64 -47.74 74.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.584 HG23 ' CG ' ' A' ' 45' ' ' ASN . 95.4 mt -59.16 -43.87 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.384 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 t -57.62 -46.49 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.349 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.521 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.02 -31.92 69.7 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.622 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 65.4 mt -70.5 -51.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.824 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -68.54 -31.68 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 0.0 109.764 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tm-20 -75.39 -42.52 53.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.962 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.74 ' C ' HD22 ' A' ' 28' ' ' ASN . 0.1 OUTLIER -88.5 163.14 16.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.277 0.56 . . . . 0.0 111.221 -179.415 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' A' ' 31' ' ' LYS . 31.5 tt0 -63.05 -25.67 68.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.412 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -54.5 -7.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.967 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 29' ' ' GLU . 17.4 tttm -50.22 -28.05 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.954 0.407 . . . . 0.0 110.588 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -59.26 -36.32 75.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.795 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.585 HD21 ' ND2' ' A' ' 79' ' ' ASN . 7.9 mp -56.1 -40.86 74.32 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.604 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -43.68 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.065 0.46 . . . . 0.0 109.784 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.697 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -62.76 -40.53 97.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.714 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' NZ ' ' HB2' ' A' ' 36' ' ' LYS . 10.3 mtmp? -61.92 -39.98 93.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.215 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.743 HD13 ' OE1' ' A' ' 46' ' ' GLN . 9.2 tt -77.55 -38.84 47.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -114.78 -16.26 11.79 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.575 0.584 . . . . 0.0 112.575 -178.449 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.697 ' N ' ' O ' ' A' ' 35' ' ' ALA . 29.6 m120 55.74 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.382 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.601 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 36.9 m -74.23 124.73 26.95 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.341 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 40' ' ' SER . 20.1 m-20 149.22 107.46 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -57.18 -75.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 121.886 1.724 . . . . 0.0 110.956 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.774 ' O ' ' N ' ' A' ' 45' ' ' ASN . 8.7 mm -95.24 -80.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.73 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.587 ' SD ' ' OD2' ' A' ' 41' ' ' ASP . 0.0 OUTLIER 32.05 -77.55 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.411 0.444 . . . . 0.0 111.023 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.774 ' N ' ' O ' ' A' ' 43' ' ' ILE . 12.5 m120 69.33 38.45 1.84 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.743 ' OE1' HD13 ' A' ' 37' ' ' LEU . 70.1 mt-30 64.55 45.33 3.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.558 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.646 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 18.2 mt -41.56 -55.68 2.81 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.087 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -61.67 -56.04 24.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 49' ' ' LEU . 69.8 mt -67.83 -43.39 79.67 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.991 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -58.48 -41.38 85.15 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 3.9 m-70 -59.05 -49.47 77.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.905 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.61 -45.76 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.466 ' CH2' ' OE1' ' A' ' 77' ' ' GLN . 36.9 t90 -53.69 -55.85 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.52 -49.63 72.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.505 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 66.6 m-20 -55.63 -43.45 76.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -64.09 -33.15 75.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.453 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.474 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 89.2 m-70 -109.56 18.25 20.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.318 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.54 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.9 ptm180 -54.6 -36.28 64.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.02 -28.75 66.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.803 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.724 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.0 ptt? -57.91 -30.27 65.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.827 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -60.26 -27.25 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -74.2 -13.48 60.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.767 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 32.6 mtpt -87.27 19.84 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.305 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.724 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.09 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.409 -0.517 . . . . 0.0 112.018 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt 63.57 -0.64 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.518 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 92.9 p -83.75 170.84 13.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.567 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -107.09 -67.64 0.94 Allowed 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -61.47 -39.93 92.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.989 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 63.3 m-20 -61.47 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.795 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.562 HG22 HD13 ' A' ' 74' ' ' LEU . 63.5 mt -58.26 -42.33 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.934 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.435 HD21 ' CD1' ' A' ' 21' ' ' PHE . 80.6 mt -56.61 -41.53 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.274 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.371 . . . . 0.0 110.416 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 17.0 mmtt -60.34 -50.64 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.562 HD13 HG22 ' A' ' 70' ' ' ILE . 6.9 mp -56.71 -42.43 79.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.792 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.534 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 94.2 m-20 -54.83 -46.78 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.811 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.7 -39.87 80.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.871 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.466 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 37.0 tt0 -68.12 -41.07 82.29 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.622 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.4 t-105 -55.37 -40.38 71.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.631 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.585 ' ND2' HD21 ' A' ' 33' ' ' LEU . 31.2 m120 -64.83 -43.71 92.18 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.405 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -84.61 -9.03 58.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.938 0.399 . . . . 0.0 110.511 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD2' ' NE1' ' A' ' 53' ' ' TRP . 42.6 t0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.549 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.66 155.72 30.55 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.953 2.436 . . . . 0.0 112.498 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -86.34 140.46 30.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.2 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.38 179.1 51.68 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -102.28 147.94 26.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.017 0.436 . . . . 0.0 110.768 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 29.1 mtt -139.68 -37.62 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.644 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.541 ' ND2' ' N ' ' A' ' 7' ' ' ASN . 1.0 OUTLIER -93.03 155.6 17.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.014 -179.293 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.703 ' NZ ' ' NH2' ' A' ' 58' ' ' ARG . 6.4 mtmp? -93.43 -172.42 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.67 143.42 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.3 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.4 p -82.48 163.14 21.78 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -55.92 -40.01 72.47 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.908 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.683 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 98.8 m-20 -65.6 -47.32 76.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.368 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.83 -40.88 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.469 0.652 . . . . 0.0 109.277 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.617 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.5 t-105 -62.61 -45.02 94.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.357 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.587 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 69.9 m-20 -54.15 -40.33 67.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.299 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.683 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 4.6 mp0 -65.19 -42.02 93.97 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 21' ' ' PHE . 42.2 tp -59.04 -39.41 81.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.532 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 29.3 mttt -61.12 -46.85 88.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.587 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.1 mp0 -60.11 -45.27 93.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.923 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.09 -47.33 86.81 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.4 m-30 -59.78 -46.58 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.565 HG23 ' CB ' ' A' ' 45' ' ' ASN . 92.6 mt -57.75 -44.21 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.538 ' HA ' HD23 ' A' ' 26' ' ' LEU . 20.9 t -57.08 -43.84 82.54 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.01 93.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.581 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 13.1 mm -75.76 -40.31 39.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.989 0.423 . . . . 0.0 110.76 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.82 -30.93 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -78.57 -42.02 30.36 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.732 0.301 . . . . 0.0 111.23 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.642 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 56.8 p30 -78.81 171.91 14.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.135 0.493 . . . . 0.0 111.773 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -62.77 -29.77 70.95 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.642 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 91.5 mt-30 -49.35 -15.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.45 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -56.9 -33.83 67.31 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.063 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.71 -36.7 83.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.28 0.562 . . . . 0.0 109.766 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 33' ' ' LEU . 4.0 tt -64.13 -39.83 94.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.491 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 45' ' ' ASN . 1.2 t -62.09 -41.92 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.384 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.534 ' O ' ' O ' ' A' ' 39' ' ' ASN . . . -61.18 -43.51 98.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.052 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -63.73 -36.88 85.33 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.526 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD13 ' OE1' ' A' ' 46' ' ' GLN . 7.9 tt -68.69 -41.57 79.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.21 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.522 HG21 ' HG2' ' A' ' 44' ' ' MET . 37.2 m -86.43 -71.85 0.53 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.998 0.427 . . . . 0.0 110.753 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.563 ' ND2' ' H ' ' A' ' 40' ' ' SER . 21.8 t30 -175.71 -121.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.275 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.563 ' H ' ' ND2' ' A' ' 39' ' ' ASN . 60.3 p -99.66 5.01 45.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.693 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.0 137.71 94.75 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 88.6 Cg_endo -76.02 -58.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 123.086 2.524 . . . . 0.0 112.56 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 45' ' ' ASN . 67.8 mt -85.21 -88.23 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.41 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.655 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 9.8 tpt 54.38 -60.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.386 0.429 . . . . 0.0 110.175 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.779 ' N ' ' O ' ' A' ' 43' ' ' ILE . 11.2 p30 57.9 9.12 0.83 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.982 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.757 ' OE1' HD13 ' A' ' 37' ' ' LEU . 60.4 mt-30 63.38 42.25 6.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.859 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.56 ' HG ' HD21 ' A' ' 45' ' ' ASN . 12.0 mt -37.91 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.714 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -58.74 -56.68 19.06 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.7 mp -69.1 -41.01 78.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.272 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.35 -45.58 91.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.079 -179.398 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 22.2 m170 -60.23 -48.89 79.8 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.456 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -61.1 -46.93 88.6 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 119.996 -0.682 . . . . 0.0 109.516 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -58.08 -53.05 62.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.91 -49.95 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.346 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.617 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 88.2 m-20 -58.11 -43.97 87.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 56' ' ' ARG . 39.2 ttp180 -61.35 -31.53 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.872 0.367 . . . . 0.0 110.79 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 60' ' ' MET . 4.2 m-70 -105.46 16.28 25.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.792 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.703 ' NH2' ' NZ ' ' A' ' 8' ' ' LYS . 13.2 ptm180 -54.24 -36.85 64.0 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.721 0.296 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -57.39 -27.03 61.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.678 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 11.5 ptm -57.03 -29.4 63.34 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.756 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.477 ' HA ' ' HE1' ' A' ' 64' ' ' TRP . 9.0 p -62.24 -28.52 69.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.888 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.96 -13.26 62.15 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.44 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 8.4 mttp -87.83 17.96 4.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.678 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -167.0 -45.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.506 -0.477 . . . . 0.0 111.148 178.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 tttm 69.05 -7.16 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.402 . . . . 0.0 110.231 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' TRP . 21.3 p -82.46 -156.62 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.238 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -133.0 -63.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.914 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.95 -37.43 82.36 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 111.411 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -61.86 -42.95 99.67 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.877 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.584 HG22 HD13 ' A' ' 74' ' ' LEU . 63.2 mt -58.74 -42.46 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.421 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 48.3 mt -55.85 -43.2 76.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.696 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.594 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 71.1 m-70 -60.66 -46.43 90.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.287 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -61.66 -51.71 67.31 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.531 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 70' ' ' ILE . 10.7 mp -56.57 -35.4 68.13 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.761 179.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 70.0 m-20 -56.29 -49.2 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.097 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.594 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 23.5 mp0 -65.6 -37.42 86.58 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.549 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -70.02 -36.9 75.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.431 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.2 t-105 -57.75 -47.86 81.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.41 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.573 ' N ' HD22 ' A' ' 79' ' ' ASN . 1.6 m120 -69.63 -34.35 73.93 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.261 0.553 . . . . 0.0 109.989 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -81.92 -7.69 59.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.672 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 t0 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.314 179.848 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -48.27 142.44 16.68 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.732 2.288 . . . . 0.0 111.945 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.543 ' CG ' ' H ' ' A' ' 4' ' ' GLY . 5.6 tp -105.42 -125.81 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.89 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.543 ' H ' ' CG ' ' A' ' 3' ' ' LEU . . . 80.64 -176.2 54.7 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -86.35 -6.89 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.659 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.418 ' HG3' ' H ' ' A' ' 6' ' ' MET . 0.0 OUTLIER -84.17 98.9 10.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.587 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 8' ' ' LYS . 51.6 t30 -163.54 109.51 1.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.505 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' A' ' 7' ' ' ASN . 17.4 pttp -50.36 -174.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.007 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -75.1 141.49 43.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.032 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 13' ' ' GLU . 65.7 p -84.59 162.28 19.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.501 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -54.16 -42.46 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.727 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -65.92 -45.83 80.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.498 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 76.7 mm-40 -63.57 -41.4 98.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.463 0.649 . . . . 0.0 109.577 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 4.6 t-105 -63.6 -47.95 79.34 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.96 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.512 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 5.9 m120 -54.03 -39.33 66.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.958 0.408 . . . . 0.0 110.18 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -63.27 -43.15 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.772 HD11 ' CE1' ' A' ' 21' ' ' PHE . 67.0 tp -60.65 -38.16 83.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.684 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HD3' ' HD1' ' A' ' 51' ' ' HIS . 35.6 mttt -60.78 -45.33 94.79 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.663 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.512 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 5.5 mp0 -60.55 -44.04 96.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.916 0.388 . . . . 0.0 110.074 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.41 -42.35 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.53 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.1 m-30 -67.26 -47.98 69.09 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG23 ' OD1' ' A' ' 45' ' ' ASN . 91.4 mt -58.22 -45.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 27' ' ' GLU . 27.4 t -55.2 -43.03 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . -59.6 -32.53 73.86 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 11.3 mm -73.45 -43.97 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -81.4 -34.22 31.76 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.917 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.0 mt-10 -76.25 -44.33 37.85 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.059 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 40.9 t30 -79.47 167.69 20.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 111.048 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -57.51 -24.43 55.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.237 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -54.62 -14.25 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.386 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' CA ' ' O ' ' A' ' 25' ' ' ILE . 15.2 pttp -54.05 -41.64 68.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.507 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 51.1 p30 -65.43 -34.93 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.697 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -65.92 -39.34 90.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.468 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -60.5 -41.13 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -61.65 -39.07 90.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.254 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -59.63 -42.36 92.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.607 HD13 ' NE2' ' A' ' 46' ' ' GLN . 9.2 tt -67.19 -40.55 86.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.61 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.584 ' O ' ' C ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -123.74 106.65 10.68 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.199 -179.178 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.584 ' C ' ' O ' ' A' ' 38' ' ' THR . 61.4 t30 18.62 -114.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.671 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.2 m -131.23 34.82 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.342 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.656 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -58.84 142.87 83.93 Favored Pre-proline 0 C--N 1.331 -0.22 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.681 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -76.94 -102.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.713 2.276 . . . . 0.0 112.784 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 43' ' ' ILE . 97.4 mt -81.36 -7.62 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.856 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.412 ' CE ' ' HB2' ' A' ' 47' ' ' LEU . 16.5 tpt -46.63 -43.91 17.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.348 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.466 ' OD1' HG23 ' A' ' 22' ' ' ILE . 7.8 m120 49.52 28.83 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.572 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.607 ' NE2' HD13 ' A' ' 37' ' ' LEU . 7.8 mt-30 65.35 42.13 4.01 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.796 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.1 mt -43.85 -55.89 4.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.115 -178.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -59.3 -53.92 52.73 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 mp -67.65 -39.45 84.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.822 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.3 tt -59.94 -45.87 91.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.851 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.696 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 56.2 m-70 -56.89 -48.66 77.67 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.576 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 10.5 mtmp? -60.91 -46.18 91.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.278 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -55.6 -51.28 67.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.515 0.674 . . . . 0.0 109.423 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.2 tp -57.29 -53.09 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.85 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -54.32 -44.77 72.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.117 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -65.65 -31.64 72.76 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.918 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.573 ' O ' ' CG ' ' A' ' 60' ' ' MET . 1.8 m-70 -110.18 16.9 21.48 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.403 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.55 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.9 ptm180 -52.9 -34.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.022 0.439 . . . . 0.0 110.877 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.41 -26.44 63.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.095 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -56.17 -30.28 62.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.958 -179.497 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 30.4 p -63.06 -28.01 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.637 0.256 . . . . 0.0 111.441 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -72.65 -13.1 61.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.657 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 48.4 mttp -86.45 18.96 2.99 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.04 -33.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.994 178.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm 56.12 3.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.627 ' O ' HD12 ' A' ' 70' ' ' ILE . 87.6 p -83.15 177.65 8.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -115.56 -68.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.916 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.89 -39.9 91.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 42.4 m-20 -62.06 -43.94 97.76 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.28 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 66' ' ' SER . 34.0 mt -61.86 -41.51 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 71' ' ' LEU . 42.8 mt -56.45 -40.13 74.3 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.121 0.486 . . . . 0.0 110.362 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -61.23 -44.2 97.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.174 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.96 -52.25 65.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.347 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD13 HG22 ' A' ' 70' ' ' ILE . 7.2 mp -58.28 -37.82 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.218 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -56.84 -43.36 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.393 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -63.87 -40.97 97.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' A' ' 77' ' ' GLN . 0.4 OUTLIER -69.6 -38.06 77.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.291 0.567 . . . . 0.0 109.602 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -41.89 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.392 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -63.72 -41.71 98.03 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.28 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -82.06 -0.96 46.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.659 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.711 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.45 147.44 37.82 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.468 2.112 . . . . 0.0 111.857 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 2.4 mm? -92.39 -72.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.514 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.56 127.28 0.89 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.779 -1.329 . . . . 0.0 109.779 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -56.17 113.68 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.175 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.0 ttp 179.77 -34.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -84.13 154.29 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -50.63 163.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -77.26 144.19 38.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.294 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 23.6 p -85.46 163.04 18.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.34 -43.08 70.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.171 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -65.14 -45.01 86.8 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.055 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -65.55 -41.23 93.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.568 0.699 . . . . 0.0 109.534 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 3.6 t-105 -61.92 -46.11 90.77 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.004 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.525 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 97.5 m-20 -55.75 -38.93 70.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 110.802 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.6 -42.96 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.631 HD11 ' CE1' ' A' ' 21' ' ' PHE . 47.9 tp -60.89 -38.96 87.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.538 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.585 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 30.2 mttm -59.63 -45.4 92.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.525 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -62.05 -42.07 98.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.736 -179.533 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 88.9 m-20 -61.62 -46.07 91.39 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.634 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.6 m-30 -61.92 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.444 HD12 ' NE2' ' A' ' 19' ' ' GLN . 87.6 mt -58.83 -50.25 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.111 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.3 t -56.68 -42.44 79.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.88 -34.96 85.17 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.48 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 89.9 mt -74.41 -30.69 26.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.281 . . . . 0.0 111.493 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.71 -25.67 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.899 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -82.43 -23.83 34.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.695 ' ND2' ' CG ' ' A' ' 30' ' ' GLN . 42.7 p-10 -105.32 173.7 6.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.398 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -59.47 -26.59 65.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.773 ' OE1' HD12 ' A' ' 33' ' ' LEU . 87.5 mm-40 -53.31 -19.37 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.13 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 12.4 pttt -49.45 -36.91 23.95 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 51.6 t0 -66.19 -42.87 88.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.719 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.773 HD12 ' OE1' ' A' ' 30' ' ' GLN . 37.2 mt -62.63 -28.96 70.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.594 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.551 HG22 ' OE1' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -67.59 -47.25 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.251 179.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -58.9 -35.89 73.79 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.734 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -63.32 -47.0 84.03 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.741 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 37' ' ' LEU . 5.7 tt -62.61 -36.73 83.7 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.631 HG22 ' H ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -95.13 177.62 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.374 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.631 ' H ' HG22 ' A' ' 38' ' ' THR . 25.8 t30 -66.49 -63.58 1.04 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.305 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.572 ' OG ' ' O ' ' A' ' 39' ' ' ASN . 5.1 m -174.31 56.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.106 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.521 ' OD2' HG21 ' A' ' 38' ' ' THR . 29.0 m-20 -97.26 152.93 38.54 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.417 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -83.52 -97.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.475 2.117 . . . . 0.0 111.701 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.618 HG23 HD22 ' A' ' 26' ' ' LEU . 57.8 mt -69.92 -22.58 24.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.16 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 107.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.341 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 45' ' ' ASN . 2.1 m120 -96.25 51.57 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.266 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.551 ' OE1' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 50.21 65.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.715 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 39.2 mt -47.98 -53.68 15.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.384 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.39 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.88 -42.64 80.94 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.941 -0.703 . . . . 0.0 110.404 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.5 tt -59.27 -43.95 92.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.824 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.715 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 31.8 m-70 -58.52 -49.63 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.582 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -61.26 -48.37 81.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.748 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -56.89 -53.19 60.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.7 -51.74 66.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.24 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.537 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 83.9 m-20 -58.6 -40.32 82.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.065 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.95 -33.33 75.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.844 0.354 . . . . 0.0 111.269 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.541 ' O ' ' CG ' ' A' ' 60' ' ' MET . 83.5 m-70 -110.88 18.01 19.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.645 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 3.3 ptm180 -51.55 -34.82 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.44 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 60' ' ' MET . 53.9 p-10 -57.9 -29.2 64.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.404 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.687 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -60.8 -27.14 67.81 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.45 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.7 p -61.56 -28.61 69.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.527 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -74.82 -11.46 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.529 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 9.6 mtmt -84.28 20.87 1.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.256 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.687 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.78 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt 62.06 -0.37 0.47 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.614 ' O ' HD12 ' A' ' 70' ' ' ILE . 97.2 p -89.46 161.28 16.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.189 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' A' ' 20' ' ' ASP . 12.9 tttm -94.61 -62.93 1.24 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.46 -37.7 84.56 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -46.35 87.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 110.929 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 66' ' ' SER . 69.9 mt -59.72 -43.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.549 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.93 -40.14 69.59 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.187 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -60.33 -44.05 95.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.106 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.643 ' HB3' ' HZ2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.83 -52.05 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.497 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 78' ' ' TRP . 6.2 mp -57.2 -40.53 77.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.811 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.62 -47.0 77.3 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -67.13 -40.56 86.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.5 -38.58 74.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.976 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.48 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 2.8 t-105 -54.51 -45.44 73.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.615 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.536 ' N ' HD22 ' A' ' 79' ' ' ASN . 1.7 m120 -63.11 -41.89 99.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -73.75 -28.45 61.69 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.526 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 49.8 t0 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 111.043 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -51.52 150.02 16.85 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.603 2.202 . . . . 0.0 111.835 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.8 ' H ' HD12 ' A' ' 3' ' ' LEU . 5.3 mp -65.54 147.6 53.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.911 0.386 . . . . 0.0 110.255 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.555 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . 29.14 -150.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -84.55 10.14 11.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.107 0.48 . . . . 0.0 110.043 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.414 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 12.2 mmt -45.56 116.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.353 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 6' ' ' MET . 1.7 m120 -175.76 166.89 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.243 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -78.94 -177.38 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.679 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -76.33 147.13 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.757 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -88.39 160.16 17.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.681 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -54.48 -41.17 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.624 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.405 ' C ' HE21 ' A' ' 16' ' ' GLN . 85.3 m-20 -64.74 -43.78 92.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 72.2 mt-10 -65.26 -41.51 94.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.898 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.526 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.6 t-105 -64.14 -46.39 84.31 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.551 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -57.43 -37.37 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 110.335 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 47.8 mt-30 -64.12 -44.6 91.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.209 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.805 HD11 ' CE1' ' A' ' 21' ' ' PHE . 34.6 tp -63.46 -37.01 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.327 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 21.8 mttm -59.06 -46.87 87.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.151 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -61.02 -44.2 97.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.481 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -59.8 -43.98 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.612 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.805 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.7 m-30 -68.04 -46.52 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.678 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.614 ' CG2' ' ND2' ' A' ' 45' ' ' ASN . 79.2 mt -57.24 -47.85 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 m -55.64 -40.93 72.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.53 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -60.39 -32.16 76.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.44 HG21 HG23 ' A' ' 34' ' ' VAL . 39.5 mm -75.62 -35.25 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -86.41 -32.36 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.696 -179.102 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 96.8 mt-10 -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.723 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.739 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 47.9 p-10 -99.35 175.11 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 111.74 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 31' ' ' LYS . 46.3 tt0 -63.24 -26.28 68.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.715 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.756 HE22 ' ND2' ' A' ' 75' ' ' ASN . 45.1 mt-30 -49.88 -11.32 0.06 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.989 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' N ' ' C ' ' A' ' 29' ' ' GLU . 5.1 ttmm -51.61 -38.14 53.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.635 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -53.12 -31.31 41.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 78' ' ' TRP . 77.1 mt -60.92 -36.03 78.23 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.139 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.527 HG22 HE21 ' A' ' 46' ' ' GLN . 20.2 t -59.05 -44.58 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -65.43 -36.08 82.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.133 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' HD2' HD23 ' A' ' 33' ' ' LEU . 43.6 mttt -66.51 -46.53 75.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.011 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.685 HD23 ' OE1' ' A' ' 46' ' ' GLN . 35.5 tp -67.74 -37.3 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' ' 39' ' ' ASN . 84.0 m -99.03 -64.55 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.632 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.657 ' N ' ' O ' ' A' ' 35' ' ' ALA . 12.6 t-20 71.35 29.27 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.149 0.5 . . . . 0.0 110.102 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.04 -41.87 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.907 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.66 ' OD2' ' SD ' ' A' ' 44' ' ' MET . 3.4 m-20 -94.6 151.87 39.52 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.89 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.509 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 58.3 Cg_endo -72.86 -81.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.899 2.399 . . . . 0.0 111.619 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.748 ' O ' ' N ' ' A' ' 45' ' ' ASN . 56.8 mt -91.68 -69.08 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.92 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.71 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 25.7 ttt 26.12 -76.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.643 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.748 ' N ' ' O ' ' A' ' 43' ' ' ILE . 23.1 m-80 95.25 24.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.265 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.685 ' OE1' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 51.91 55.48 9.22 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 47' ' ' LEU . 51.0 mt -46.9 -51.02 17.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.775 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.55 -49.75 76.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.651 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.8 mm? -69.54 -41.42 75.96 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.152 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.54 -43.91 93.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.922 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -58.83 -47.69 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.482 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.2 -45.63 92.51 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.941 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -57.56 -55.38 35.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.8 tp -55.43 -50.21 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.58 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.19 -47.06 82.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 tpt85 -61.74 -31.53 71.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.769 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' O ' ' HG2' ' A' ' 60' ' ' MET . 95.2 m-70 -110.52 15.52 22.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.497 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.564 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.7 ptm180 -51.15 -36.26 39.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -55.69 -31.94 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.525 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.0 ptt? -58.23 -27.81 64.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.567 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.7 p -61.01 -27.19 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.542 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -71.66 -16.19 62.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 47.9 mttp -87.45 19.92 3.1 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.716 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -172.0 -49.38 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.092 178.096 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 62.02 4.07 1.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.709 ' O ' HD12 ' A' ' 70' ' ' ILE . 37.0 p -89.54 163.43 15.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -92.93 -66.26 0.94 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -63.75 -38.67 91.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 45.2 t0 -62.8 -45.13 94.08 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.117 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 66' ' ' SER . 56.4 mt -60.63 -43.76 95.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.157 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 67.5 mt -53.8 -40.25 66.17 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.949 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.429 ' O ' ' OE2' ' A' ' 76' ' ' GLU . 17.6 t-80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.154 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 14.6 mmmt -63.32 -52.84 60.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.215 -179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 74' ' ' LEU . 6.8 mp -57.13 -37.17 71.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.251 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.756 ' ND2' HE22 ' A' ' 30' ' ' GLN . 2.5 m120 -58.21 -47.71 82.62 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.357 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -65.87 -38.84 89.86 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.295 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.547 ' OE1' ' O ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -69.33 -40.15 77.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.024 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.564 ' CD1' HD13 ' A' ' 33' ' ' LEU . 1.3 t-105 -55.46 -49.91 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.984 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' OD1' HD11 ' A' ' 33' ' ' LEU . 55.6 m-20 -67.42 -41.08 85.43 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -86.8 5.14 38.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.825 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.558 ' OD2' ' O ' ' A' ' 78' ' ' TRP . 35.0 p30 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.227 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.876 -1.289 . . . . 0.0 109.876 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 1' ' ' GLY . 56.5 Cg_endo -74.1 -86.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.97 2.447 . . . . 0.0 113.01 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 3' ' ' LEU . 31.4 tp -88.1 143.2 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.239 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.32 174.36 43.44 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 6' ' ' MET . 0.9 OUTLIER -68.1 -80.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.364 . . . . 0.0 110.525 179.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.411 ' N ' ' OG ' ' A' ' 5' ' ' SER . 63.0 mtt 62.73 11.2 4.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.711 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -101.88 123.55 45.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.109 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -91.52 169.5 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.184 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -77.68 144.2 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.393 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 p -88.33 160.08 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.141 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -53.75 -41.71 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.588 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 90.9 m-20 -66.13 -45.49 80.86 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.613 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -64.88 -39.82 94.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.406 0.622 . . . . 0.0 109.521 178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.502 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 5.9 t-105 -59.97 -46.09 90.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.589 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.54 ' N ' HD22 ' A' ' 15' ' ' ASN . 1.2 m120 -57.08 -37.7 72.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.586 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.6 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.91 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.215 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 60.4 tp -63.79 -36.85 85.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.232 178.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.547 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 44.8 mttt -58.09 -42.77 86.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -63.0 -40.6 98.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.456 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 67' ' ' LYS . 77.2 m-20 -59.43 -44.83 92.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.909 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CE1' HD22 ' A' ' 74' ' ' LEU . 32.5 m-85 -65.28 -47.39 76.83 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG23 ' OD1' ' A' ' 45' ' ' ASN . 71.1 mt -58.39 -42.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -59.18 -46.08 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.537 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.37 -34.53 81.06 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.581 ' HA ' HD21 ' A' ' 28' ' ' ASN . 45.3 mm -71.63 -43.93 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.138 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.889 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.11 -28.1 60.11 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.551 -179.59 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -77.34 -38.53 50.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.235 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.581 HD21 ' HA ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -92.56 150.62 20.63 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 121.268 0.556 . . . . 0.0 111.046 -179.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 31' ' ' LYS . 77.9 tt0 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.186 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -48.0 -9.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.236 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 29' ' ' GLU . 42.4 tttt -53.48 -32.36 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 75.2 m-20 -53.21 -37.36 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.515 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 81.9 mt -63.29 -36.94 85.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.033 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 38' ' ' THR . 1.0 OUTLIER -65.13 -41.1 90.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.194 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.05 86.66 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.151 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 38.4 mmtt -66.41 -42.58 87.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.653 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.87 HD22 ' OE1' ' A' ' 46' ' ' GLN . 7.8 tt -57.05 -38.17 72.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.797 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -100.51 -76.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 -179.475 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.483 ' N ' ' OG1' ' A' ' 38' ' ' THR . 0.7 OUTLIER -175.41 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.693 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t 174.8 63.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.135 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.45 145.51 30.12 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.755 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.83 -91.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.887 2.391 . . . . 0.0 112.288 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.575 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 58.3 mt -106.18 -11.48 10.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.275 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 8.2 ttt -53.18 -32.63 48.88 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 110.295 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.58 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 2.5 p-10 46.23 37.4 3.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.87 ' OE1' HD22 ' A' ' 37' ' ' LEU . 15.6 pt20 49.81 58.09 5.82 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.314 0.578 . . . . 0.0 110.701 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.64 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.0 mt -45.33 -52.37 9.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.568 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -58.94 -49.25 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.5 mp -65.57 -40.82 93.19 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.037 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 50' ' ' LEU . 6.3 tt -59.06 -44.62 91.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.61 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 64.6 m-70 -61.15 -48.54 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.09 -45.31 93.35 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.048 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -57.41 -52.67 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.317 0.579 . . . . 0.0 109.585 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.82 -51.95 65.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.283 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.03 -42.67 76.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.561 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -61.61 -32.44 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 111.58 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 47.8 m-70 -115.48 21.73 13.78 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.264 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.0 ptm180 -55.66 -35.77 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 60' ' ' MET . 25.6 p-10 -59.5 -26.76 65.56 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.738 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.3 ptt? -58.95 -28.11 65.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.384 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.5 p -59.45 -29.77 68.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.572 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.349 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 3.8 mtpm? -85.3 21.7 1.66 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.738 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.68 -45.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 178.096 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 60.73 5.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.234 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.55 ' O ' HD12 ' A' ' 70' ' ' ILE . 60.2 p -90.03 173.74 8.03 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.359 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' NZ ' ' HB3' ' A' ' 20' ' ' ASP . 19.2 tptt -101.4 -66.48 0.91 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 111.914 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 9.2 pt-20 -62.41 -41.83 98.98 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 68' ' ' GLU . 36.8 t0 -60.13 -45.76 91.94 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.666 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 66' ' ' SER . 45.8 mt -58.75 -44.49 90.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.813 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.573 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 66.4 mt -57.08 -39.61 75.32 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.062 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.619 ' NE2' ' OE2' ' A' ' 76' ' ' GLU . 47.3 t-80 -60.35 -47.18 87.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.6 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.606 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.8 mptp? -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.774 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.574 HD22 ' CE1' ' A' ' 21' ' ' PHE . 6.6 mp -58.81 -35.38 72.77 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.573 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 18.1 m120 -55.59 -51.07 68.37 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.276 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.619 ' OE2' ' NE2' ' A' ' 72' ' ' HIS . 9.0 mp0 -67.32 -35.75 80.07 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.606 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 9.6 mp0 -72.89 -38.48 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.012 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -59.29 -45.13 92.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.228 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.515 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 1.7 m120 -63.39 -42.19 98.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -86.07 1.03 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.511 -179.771 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -52.92 148.86 28.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.779 2.319 . . . . 0.0 111.815 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 tp -67.0 -119.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.412 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 153.41 14.27 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -85.0 -1.96 57.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.345 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' ASN . 24.5 ptt? -61.41 -153.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.38 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' MET . 57.2 m-20 36.48 -150.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.334 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -81.79 -174.43 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.426 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -75.86 153.1 37.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.503 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.1 p -83.07 159.7 22.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.704 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -54.42 -40.65 68.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.251 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.9 -45.97 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.045 0.45 . . . . 0.0 110.253 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.6 -38.55 87.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.707 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.479 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 2.2 t-105 -61.46 -47.54 85.24 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.008 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -55.48 -40.94 72.31 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.085 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -64.22 -46.24 84.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.714 HD11 ' CE1' ' A' ' 21' ' ' PHE . 26.6 tp -63.66 -38.11 89.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.81 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.521 ' HD2' ' ND1' ' A' ' 51' ' ' HIS . 8.6 mtmp? -61.51 -45.42 94.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.088 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -61.5 -40.84 96.05 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.728 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.49 -47.57 83.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.449 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.714 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.0 m-30 -61.47 -43.75 98.31 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.51 HG23 HD22 ' A' ' 45' ' ' ASN . 82.5 mt -57.56 -48.49 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.963 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 16.9 m -56.47 -43.76 79.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.416 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.35 -34.95 87.12 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.45 ' HA ' HD13 ' A' ' 25' ' ' ILE . 29.1 mm -69.89 -42.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 111.037 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.92 -26.73 49.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 23' ' ' SER . 57.5 mm-40 -72.42 -32.89 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.642 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -91.38 153.81 19.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.933 0.397 . . . . 0.0 111.437 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.67 -26.94 65.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 32' ' ' ASP . 96.5 mt-30 -56.56 -22.39 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.59 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.591 ' O ' HG12 ' A' ' 34' ' ' VAL . 50.4 pttt -39.97 -28.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.153 0.501 . . . . 0.0 110.592 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 30' ' ' GLN . 95.8 m-20 -58.42 -33.7 69.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.1 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OD1' ' A' ' 79' ' ' ASN . 64.8 mt -62.8 -43.98 97.38 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.158 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.4 p -70.97 -30.51 41.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.648 ' O ' ' N ' ' A' ' 40' ' ' SER . . . -61.01 -45.23 95.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.737 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -64.86 -40.41 95.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.011 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.986 HD13 ' OE1' ' A' ' 46' ' ' GLN . 8.4 tt -57.28 -36.56 71.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.448 ' CG2' ' HG2' ' A' ' 46' ' ' GLN . 74.3 p -102.98 26.22 8.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.63 60.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.423 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.648 ' N ' ' O ' ' A' ' 35' ' ' ALA . 2.9 p 44.94 69.98 0.38 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.629 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.32 132.05 21.86 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.716 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -43.29 -79.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.029 1.819 . . . . 0.0 112.183 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.788 ' O ' ' N ' ' A' ' 45' ' ' ASN . 64.3 mt -103.38 -89.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.515 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 16.9 tpt 45.91 -64.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.776 0.672 . . . . 0.0 111.716 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.788 ' N ' ' O ' ' A' ' 43' ' ' ILE . 79.7 m-20 61.17 22.52 12.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 0.0 110.213 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.986 ' OE1' HD13 ' A' ' 37' ' ' LEU . 20.6 mt-30 62.31 42.25 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.987 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.673 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 54.5 mt -31.75 -54.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.113 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.16 -58.81 6.41 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -64.62 -39.84 94.42 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.966 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 50' ' ' LEU . 3.3 tt -58.23 -43.61 87.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 9.3 m-70 -57.57 -48.03 80.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.815 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -59.6 -46.38 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.513 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.572 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 56.3 t90 -58.53 -55.04 40.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.731 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 58' ' ' ARG . 12.9 tp -55.4 -48.98 73.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.121 -178.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -56.04 -46.64 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.682 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.04 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.208 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 53' ' ' TRP . 29.8 m80 -104.51 9.4 35.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.358 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 54' ' ' LEU . 12.1 ptm180 -54.24 -36.69 63.83 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.954 0.407 . . . . 0.0 110.796 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -58.97 -33.72 70.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.762 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.744 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 1.6 ppp? -57.84 -27.21 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.332 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 60' ' ' MET . 8.6 p -61.63 -27.79 68.91 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -71.98 -14.17 61.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 11.4 mttp -87.19 20.35 2.79 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.864 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.744 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.91 -53.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.15 -0.62 . . . . 0.0 112.13 178.542 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 65' ' ' LYS . 6.6 ttpm? 52.69 10.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.532 ' N ' ' C ' ' A' ' 64' ' ' TRP . 16.6 p -86.59 10.41 15.56 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.078 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.96 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' SER . 83.8 tt0 -57.52 -39.3 76.25 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.795 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.649 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -61.68 -41.19 97.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.687 HG22 HD13 ' A' ' 74' ' ' LEU . 33.9 mt -59.86 -44.03 93.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.451 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 71' ' ' LEU . 57.9 mt -56.76 -41.47 77.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.111 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -62.38 -43.63 98.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.899 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.649 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 42.7 mmtm -62.98 -51.82 65.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.245 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.687 HD13 HG22 ' A' ' 70' ' ' ILE . 8.1 mp -55.55 -42.37 74.56 Favored 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.493 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.52 -45.47 88.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.369 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.97 -40.62 96.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.091 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HA ' ' HZ2' ' A' ' 80' ' ' LYS . 8.8 pt20 -76.57 -32.89 58.43 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.194 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -54.62 -44.32 73.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' OD1' ' CD1' ' A' ' 33' ' ' LEU . 71.8 m-20 -70.46 -41.48 72.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.519 ' HB2' ' HZ2' ' A' ' 80' ' ' LYS . 10.2 mtmp? -82.67 1.9 36.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.102 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.858 -179.561 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.75 152.05 81.31 Favored 'Trans proline' 0 C--N 1.303 -1.836 0 C-N-CA 123.133 2.556 . . . . 0.0 112.579 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 3' ' ' LEU . 21.7 tp -65.92 -29.25 69.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.43 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.62 -129.62 39.48 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -112.8 11.57 19.36 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.109 -0.237 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.602 ' O ' ' O ' ' A' ' 7' ' ' ASN . 19.4 mmt -45.89 -90.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.199 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.653 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 8.7 t-20 31.47 -163.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.634 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.653 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 29.8 mtpt -92.09 159.39 15.71 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.711 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.12 136.94 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.358 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.9 p -81.28 159.07 24.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.085 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.16 -40.2 70.38 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.094 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -64.21 -43.88 93.66 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -69.01 -37.5 78.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.324 0.583 . . . . 0.0 109.619 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.472 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -63.61 -47.32 81.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.348 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -54.4 -40.69 68.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.56 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -62.9 -42.46 99.78 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HG ' ' CE2' ' A' ' 21' ' ' PHE . 25.2 tp -62.28 -37.79 86.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.352 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 22.5 mttm -60.22 -45.24 93.87 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.519 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 23' ' ' SER . 94.0 mm-40 -60.24 -39.86 88.21 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.381 -0.528 . . . . 0.0 109.612 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.61 -43.56 80.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.641 ' CE1' ' CD2' ' A' ' 74' ' ' LEU . 30.3 m-85 -69.06 -53.4 20.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.017 0.437 . . . . 0.0 110.326 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.5 mt -59.38 -38.36 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.98 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 17.6 t -60.66 -49.43 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.051 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.59 -21.56 74.69 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.404 ' CG2' HG11 ' A' ' 34' ' ' VAL . 4.3 mm -73.56 -41.45 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.979 0.419 . . . . 0.0 110.71 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 26' ' ' LEU . 1.5 pp -85.7 -24.77 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.89 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' N ' HD12 ' A' ' 26' ' ' LEU . 53.4 tp10 -74.55 -38.39 62.74 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.474 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.416 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 51.1 p30 -91.86 162.12 14.56 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.731 0.3 . . . . 0.0 110.973 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 31' ' ' LYS . 85.5 tt0 -57.91 -27.4 63.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.996 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.733 HE22 ' CB ' ' A' ' 75' ' ' ASN . 43.2 mt-30 -51.49 -7.57 0.05 OUTLIER 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.836 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 29' ' ' GLU . 41.9 tttm -55.68 -37.74 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.353 0.596 . . . . 0.0 109.727 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 60.1 t0 -61.0 -36.32 79.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.703 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -65.76 -46.09 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.577 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.601 HG23 ' NE2' ' A' ' 46' ' ' GLN . 2.7 p -64.81 -35.54 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.181 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.08 89.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -64.3 -35.85 82.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.172 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 37' ' ' LEU . 9.5 tt -59.45 -36.09 75.28 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.647 HG23 ' H ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -117.08 -88.95 0.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.603 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.647 ' H ' HG23 ' A' ' 38' ' ' THR . 31.5 m120 -160.25 -157.13 0.53 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.496 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -81.71 12.7 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.746 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -47.46 145.61 3.94 Favored Pre-proline 0 N--CA 1.448 -0.525 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.747 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.83 -99.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.301 -1.942 0 C-N-CA 122.852 2.368 . . . . 0.0 112.819 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.7 mt -83.95 -16.72 10.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.231 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.548 ' HA ' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -43.92 -54.11 5.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.127 -179.355 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.4 m120 47.88 38.85 9.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.61 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.661 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 58.52 44.76 17.38 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.495 0.664 . . . . 0.0 111.002 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 2.6 mt -43.75 -53.93 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.72 -51.44 69.78 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 49' ' ' LEU . 79.6 mt -65.13 -38.22 89.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.544 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -59.07 -44.59 91.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.956 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 43.3 m-70 -59.19 -49.19 78.82 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.601 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -59.5 -46.83 87.71 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -58.0 -53.57 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.502 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.637 HD11 ' CE2' ' A' ' 21' ' ' PHE . 13.8 tp -58.23 -52.32 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.113 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -59.65 -43.54 93.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.077 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.642 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.472 ' O ' ' SD ' ' A' ' 60' ' ' MET . 94.8 m-70 -109.39 17.93 20.95 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.966 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.65 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 12.2 ptm180 -56.06 -33.31 64.9 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.733 ' OD1' ' N ' ' A' ' 60' ' ' MET . 35.9 p30 -56.31 -27.68 56.35 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.733 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 9.5 ptt? -59.58 -30.17 68.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.132 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.7 p -66.15 -31.06 71.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.742 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.53 -14.96 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -89.08 -75.22 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.217 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.608 ' O ' ' C ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -84.14 14.18 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.118 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.608 ' C ' ' O ' ' A' ' 64' ' ' TRP . 17.3 pttm -13.12 82.0 0.0 OUTLIER 'General case' 0 C--O 1.231 0.13 0 O-C-N 123.539 0.524 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 64' ' ' TRP . 16.4 p -153.66 177.89 10.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.453 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -107.73 -76.26 0.62 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -63.26 -35.26 79.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.085 0.469 . . . . 0.0 110.512 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 80.9 m-20 -60.69 -46.49 90.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.377 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 66' ' ' SER . 29.8 mt -59.38 -38.44 74.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.803 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 34.0 mt -55.47 -41.54 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.033 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.72 -46.95 88.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.939 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 1.1 mptp? -62.76 -52.51 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.368 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.641 ' CD2' ' CE1' ' A' ' 21' ' ' PHE . 4.8 mp -57.98 -36.29 72.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.335 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.733 ' CB ' HE22 ' A' ' 30' ' ' GLN . 94.4 m-20 -56.91 -48.48 78.13 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.157 0.503 . . . . 0.0 110.026 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.24 -38.97 92.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.201 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -68.47 -41.65 79.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.598 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.423 ' HE1' ' HA ' ' A' ' 34' ' ' VAL . 2.3 t-105 -54.83 -45.11 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.785 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.634 ' N ' HD22 ' A' ' 79' ' ' ASN . 1.6 m120 -70.93 -37.02 72.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -60.17 -43.62 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.385 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.601 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -70.27 0.93 5.29 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.655 2.237 . . . . 0.0 111.954 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.859 ' C ' HD12 ' A' ' 3' ' ' LEU . 2.1 pp -42.63 147.59 0.28 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.017 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 6' ' ' MET . . . 167.01 104.1 0.17 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.13 7.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.85 -0.206 . . . . 0.0 111.227 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.585 ' N ' ' O ' ' A' ' 4' ' ' GLY . 4.9 mmt -78.5 11.24 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -76.73 127.56 33.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.863 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -95.35 -175.3 3.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.538 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.403 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 60.4 m-85 -77.24 147.68 36.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.424 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 68.1 p -81.39 157.53 24.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.201 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -51.5 -42.26 61.55 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.826 0.346 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.741 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.1 m-20 -67.2 -48.13 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.141 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 98.7 mt-10 -64.82 -37.43 87.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 109.661 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.564 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 6.1 t-105 -62.16 -46.15 90.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.744 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 3.2 m120 -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.752 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.741 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.1 mp0 -64.45 -43.52 94.01 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.003 0.43 . . . . 0.0 109.926 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.52 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.8 tp -61.07 -39.74 91.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.583 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.1 mttt -59.57 -44.52 93.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.685 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 15' ' ' ASN . 94.3 mm-40 -61.72 -43.3 99.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.49 -45.78 92.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.131 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -62.66 -45.12 94.25 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.197 0.523 . . . . 0.0 109.637 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.757 HG23 ' CB ' ' A' ' 45' ' ' ASN . 78.3 mt -57.5 -49.8 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.805 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 t -54.46 -40.6 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -33.29 83.72 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.87 -34.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -89.48 -28.52 19.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.466 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.6 -37.17 56.88 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.739 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 38.3 t-20 -89.46 157.84 17.95 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.446 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 68.3 tt0 -58.81 -22.47 58.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 32' ' ' ASP . 64.3 mm-40 -52.13 -19.46 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.12 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' O ' HG12 ' A' ' 34' ' ' VAL . 25.0 ttpp -44.73 -21.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 36' ' ' LYS . 85.8 m-20 -59.21 -35.85 74.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.981 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.921 HD21 ' OD1' ' A' ' 79' ' ' ASN . 8.0 mp -54.71 -54.13 45.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 45' ' ' ASN . 4.5 p -63.49 -40.0 87.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.297 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.585 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -55.13 -40.84 70.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.036 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' A' ' 32' ' ' ASP . 41.4 mttp -68.1 -41.11 82.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.351 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.604 HD23 HG23 ' A' ' 38' ' ' THR . 6.9 tt -70.54 -49.61 46.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.145 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.604 HG23 HD23 ' A' ' 37' ' ' LEU . 1.6 p -110.62 143.57 40.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.005 178.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -103.4 -56.93 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.053 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 p -83.92 -2.35 56.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 0.0 110.726 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.83 75.59 79.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.343 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -83.74 -61.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.644 2.229 . . . . 0.0 112.298 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -18.06 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.677 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttp -56.71 -26.94 58.04 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.757 ' CB ' HG23 ' A' ' 22' ' ' ILE . 16.3 m120 56.18 23.66 7.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.364 -0.834 . . . . 0.0 112.082 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.504 ' OE1' HD13 ' A' ' 37' ' ' LEU . 16.4 mt-30 66.99 38.03 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.3 mt -38.25 -61.18 0.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -58.26 -52.2 66.59 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -69.13 -41.62 77.11 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.309 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.0 tt -58.17 -44.65 88.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.477 ' CG ' ' HD3' ' A' ' 18' ' ' LYS . 17.6 m170 -59.4 -50.0 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.599 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -59.16 -45.91 89.76 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.425 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -57.63 -55.88 29.15 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 tp -54.59 -48.72 71.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.753 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.564 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 94.4 m-20 -56.42 -41.85 77.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.391 -179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -62.45 -31.03 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.909 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -109.96 22.65 15.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.567 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -55.08 -34.79 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.351 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.06 -29.61 69.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.334 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.2 ptt? -55.42 -34.87 64.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.362 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -63.65 -32.39 73.86 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 109.69 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -73.12 -21.43 60.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.334 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -74.91 -53.15 9.53 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.257 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.717 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -92.61 -59.55 2.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.339 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 64' ' ' TRP . 6.2 tttp 97.58 -27.41 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.787 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 69' ' ' ASP . 33.1 p -86.75 130.79 34.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.821 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 70' ' ' ILE . 79.3 tttt -59.87 -50.88 72.05 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -60.47 -43.27 97.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.86 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 55.6 t0 -60.49 -44.73 95.64 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.118 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.489 ' O ' HD13 ' A' ' 74' ' ' LEU . 47.7 mt -57.76 -46.77 86.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.753 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.455 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 71.7 mt -55.44 -42.55 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.269 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.406 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 37.1 m-70 -59.9 -43.7 94.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.49 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 14.8 mmtm -63.88 -49.24 73.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 70' ' ' ILE . 3.8 mp -57.7 -42.67 84.19 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.479 ' N ' HD22 ' A' ' 75' ' ' ASN . 2.6 m120 -56.06 -49.29 74.16 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.257 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 72' ' ' HIS . 67.3 mm-40 -67.91 -40.65 83.37 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ASP . 72.2 tp60 -72.64 -46.09 55.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.158 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.467 ' CD1' HD23 ' A' ' 33' ' ' LEU . 2.2 t90 -54.23 -43.39 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.921 ' OD1' HD21 ' A' ' 33' ' ' LEU . 96.6 m-20 -58.85 -46.23 88.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.063 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -85.74 0.16 53.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' GLN . 48.7 t0 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.107 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -56.7 151.49 47.13 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.687 2.258 . . . . 0.0 111.799 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 5' ' ' SER . 80.6 mt -59.63 -34.74 73.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.302 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 36.48 27.7 0.01 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' LEU . 22.7 m 34.06 38.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.768 0.318 . . . . 0.0 110.792 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.8 OUTLIER -89.77 133.66 34.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.395 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -139.32 117.04 11.51 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.828 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.32 173.47 3.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.027 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -76.44 143.08 40.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -84.22 161.62 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 87.1 m-20 -52.37 -42.43 63.96 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.079 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.47 -47.7 78.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 98.9 mt-10 -65.3 -38.97 91.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 109.866 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.448 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.5 t-105 -61.28 -45.56 93.98 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.668 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.605 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.6 m120 -57.85 -38.65 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.278 0.561 . . . . 0.0 110.071 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 58.9 mt-30 -63.38 -43.59 97.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.285 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.28 -40.25 93.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG2' HD22 ' A' ' 54' ' ' LEU . 26.5 mttm -57.74 -44.03 85.76 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.677 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 3.5 mp0 -63.82 -40.52 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.741 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' CB ' ' NZ ' ' A' ' 67' ' ' LYS . 51.4 m-20 -62.2 -42.88 99.7 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.815 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.609 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.9 m-30 -64.12 -48.32 76.56 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.69 HG23 ' CB ' ' A' ' 45' ' ' ASN . 64.3 mt -58.77 -50.0 80.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.332 178.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.401 ' HA ' HD23 ' A' ' 26' ' ' LEU . 66.5 m -53.89 -42.89 69.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.117 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.12 -34.1 86.7 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.503 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 87.2 mt -75.4 -36.8 36.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.726 0.298 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.871 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.23 -26.6 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 110.17 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.576 ' OE1' ' O ' ' A' ' 27' ' ' GLU . 3.3 tm-20 -73.43 -38.34 65.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.712 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.503 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 53.7 p30 -94.54 171.28 8.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.605 0.717 . . . . 0.0 112.157 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -66.26 -21.83 66.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.065 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.492 ' CD ' ' ND2' ' A' ' 28' ' ' ASN . 78.0 mt-30 -52.06 -17.34 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.818 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.541 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.0 ttpt -49.25 -23.05 1.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.724 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 p-10 -60.72 -34.13 73.93 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 78' ' ' TRP . 10.7 mp -51.78 -54.09 32.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.794 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.718 HG23 ' HG3' ' A' ' 46' ' ' GLN . 2.6 p -64.88 -34.8 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 32' ' ' ASP . . . -58.36 -56.91 15.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.671 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -60.82 -38.85 86.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.434 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.631 HD13 ' OE1' ' A' ' 46' ' ' GLN . 9.7 tt -68.8 -48.85 62.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.295 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.583 ' OG1' ' O ' ' A' ' 41' ' ' ASP . 37.4 p -86.32 151.33 23.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.001 0.429 . . . . 0.0 110.986 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.44 -75.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.36 -179.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.6 m -87.11 1.66 52.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.848 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.583 ' O ' ' OG1' ' A' ' 38' ' ' THR . 0.0 OUTLIER -116.43 103.22 53.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.373 -179.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -82.25 -77.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.419 2.079 . . . . 0.0 113.006 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 45' ' ' ASN . 65.5 mt -75.67 -6.31 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.96 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.501 ' C ' ' O ' ' A' ' 43' ' ' ILE . 4.1 ttt -36.94 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.69 ' CB ' HG23 ' A' ' 22' ' ' ILE . 16.8 m120 61.05 12.24 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.084 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HG3' HG23 ' A' ' 34' ' ' VAL . 20.5 mt-30 64.45 41.88 5.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 8.9 mt -50.76 -56.46 11.95 Favored 'General case' 0 N--CA 1.461 0.111 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -55.14 -48.3 73.88 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.668 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.665 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -68.46 -38.11 80.79 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.378 -0.529 . . . . 0.0 109.593 178.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.491 HD21 ' CZ3' ' A' ' 78' ' ' TRP . 8.0 mt -59.4 -46.58 88.28 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.234 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 93.4 m-70 -57.55 -49.28 76.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.046 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -63.8 -52.92 58.04 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.614 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 38.8 t90 -59.97 -56.34 22.96 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.492 HD22 ' HG2' ' A' ' 18' ' ' LYS . 12.8 tp -56.9 -50.56 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.001 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 91.7 m-20 -57.35 -40.26 77.69 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.182 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 57.7 ttp180 -63.76 -31.83 73.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.406 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CE1' ' HE ' ' A' ' 56' ' ' ARG . 63.3 m-70 -112.68 20.82 16.19 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.192 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.647 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 9.8 ptm180 -53.82 -34.46 59.31 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.707 ' OD1' ' N ' ' A' ' 60' ' ' MET . 28.0 p30 -60.33 -28.65 68.31 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.213 0.53 . . . . 0.0 111.074 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.799 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 2.1 ptt? -55.12 -35.92 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.47 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.647 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.3 p -61.82 -34.56 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.996 0.426 . . . . 0.0 110.757 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 76.9 mm-40 -76.01 -18.33 59.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -76.74 -55.25 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.967 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.799 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -83.65 -42.0 17.16 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.141 179.445 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.5 tttm 64.99 41.36 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.942 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' ILE . 11.0 p -150.77 122.82 8.22 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.916 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.539 ' NZ ' ' CB ' ' A' ' 20' ' ' ASP . 32.8 tttp -58.92 -60.26 4.14 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -61.94 -38.14 87.34 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -177.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -63.85 -43.1 97.15 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.195 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 64' ' ' TRP . 92.7 mt -60.55 -41.73 88.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.952 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.609 HD21 ' CD1' ' A' ' 21' ' ' PHE . 50.6 mt -58.12 -40.64 81.76 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.303 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -57.51 -44.56 85.12 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.205 0.526 . . . . 0.0 109.784 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.1 mmtt -62.11 -47.26 85.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.969 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 70' ' ' ILE . 7.0 mp -57.94 -40.88 81.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -56.13 -48.73 75.66 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.878 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -66.6 -40.42 88.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.121 0.486 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.739 ' O ' ' N ' ' A' ' 81' ' ' ASP . 97.8 mt-30 -70.58 -38.41 74.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.269 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.613 ' CD1' HD23 ' A' ' 33' ' ' LEU . 2.0 t-105 -57.11 -43.75 82.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.464 ' ND2' HD21 ' A' ' 33' ' ' LEU . 25.4 m120 -65.1 -37.76 88.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -98.42 -7.15 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.376 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 77' ' ' GLN . 17.0 t0 . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.276 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -69.11 147.42 67.03 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.872 2.381 . . . . 0.0 112.036 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.8 mt 62.17 -155.04 0.35 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' MET . . . 70.82 33.67 66.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.21 4.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.378 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.48 ' H ' ' C ' ' A' ' 4' ' ' GLY . 3.1 mtp -87.83 -13.2 42.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.152 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.502 ' C ' ' OD1' ' A' ' 7' ' ' ASN . 33.3 p-10 -83.53 179.1 7.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.767 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' HZ3' ' NE ' ' A' ' 58' ' ' ARG . 13.7 mtpt -80.9 -175.67 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.166 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -76.75 150.8 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 111.841 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.0 p -83.47 161.14 21.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.724 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -56.23 -43.53 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.611 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 69.5 m-20 -63.35 -46.27 87.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.164 0.507 . . . . 0.0 110.464 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.02 -40.83 97.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.594 0.712 . . . . 0.0 109.453 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.505 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.2 t-105 -62.16 -45.87 91.49 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.598 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.572 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 2.6 m120 -55.29 -37.52 67.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.218 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.611 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 6.2 mp0 -64.61 -42.08 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.811 HD11 ' CE1' ' A' ' 21' ' ' PHE . 45.8 tp -62.36 -37.4 85.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.289 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 30.6 mttt -61.49 -48.13 82.49 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.572 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.4 mp0 -59.95 -43.75 94.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.914 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -60.99 -44.27 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.811 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -65.98 -47.31 74.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.158 0.504 . . . . 0.0 109.8 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 ' NE2' ' A' ' 19' ' ' GLN . 73.3 mt -57.33 -49.37 80.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.424 ' HA ' HD23 ' A' ' 26' ' ' LEU . 47.4 t -58.26 -44.08 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.729 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.39 -38.26 90.12 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.672 HD13 HD21 ' A' ' 28' ' ' ASN . 24.2 mm -70.37 -37.6 71.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.888 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.77 -26.47 49.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.516 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 23' ' ' SER . 75.5 mm-40 -78.02 -42.94 30.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.215 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.672 HD21 HD13 ' A' ' 25' ' ' ILE . 55.8 p30 -77.46 170.25 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.652 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.14 -29.0 70.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.458 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.643 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -50.81 -15.96 0.35 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.389 -179.301 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.9 pttm -53.65 -40.55 65.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.032 -179.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' A' ' 33' ' ' LEU . 55.7 p30 -66.65 -34.26 77.48 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.681 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 7.9 tt -63.11 -42.18 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.631 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.576 ' O ' HG22 ' A' ' 38' ' ' THR . 0.3 OUTLIER -77.43 -19.09 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.001 -179.714 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -58.69 -37.35 75.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.758 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.661 ' NZ ' ' O ' ' A' ' 32' ' ' ASP . 3.1 mptt -65.12 -43.83 90.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.488 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.656 HD13 ' OE1' ' A' ' 46' ' ' GLN . 9.3 tt -66.72 -39.28 87.93 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.768 HG21 ' HA ' ' A' ' 45' ' ' ASN . 3.2 t -115.24 13.01 16.62 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.253 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.665 ' N ' ' O ' ' A' ' 35' ' ' ALA . 29.9 t30 59.26 -147.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.573 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 6.7 p -72.9 156.48 38.82 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 40' ' ' SER . 1.8 m-20 154.29 148.47 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.085 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.14 -92.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.365 2.043 . . . . 0.0 112.076 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.463 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 6.2 pt -93.94 -14.68 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.016 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.455 ' HE2' ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -69.72 91.37 0.62 Allowed 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.768 ' HA ' HG21 ' A' ' 38' ' ' THR . 75.5 m-20 -121.35 79.94 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.38 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.656 ' OE1' HD13 ' A' ' 37' ' ' LEU . 10.6 pt20 47.31 58.32 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.386 0.612 . . . . 0.0 109.753 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' H ' ' HE2' ' A' ' 44' ' ' MET . 77.1 mt -54.35 -46.45 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.29 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.34 -50.72 72.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.791 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.733 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.8 mp -68.52 -40.16 80.9 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.986 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.5 tt -58.24 -44.82 88.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.527 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 30.4 m170 -59.93 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.269 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -61.67 -48.04 82.63 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.041 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -56.72 -52.93 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 tp -56.98 -52.7 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.08 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -55.88 -41.26 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.171 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' NH2' ' NE2' ' A' ' 57' ' ' HIS . 55.8 ttp85 -60.31 -33.41 72.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.296 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.478 ' NE2' ' NH2' ' A' ' 56' ' ' ARG . 83.4 m-70 -114.84 21.24 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.473 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.527 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 13.5 ptm180 -53.31 -34.43 57.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.093 0.473 . . . . 0.0 110.454 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.66 -29.14 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.722 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 5.3 ptt? -59.91 -27.36 66.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.237 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 15.7 p -62.09 -28.58 69.72 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -73.81 -11.79 60.49 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.486 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 5.2 mtpm? -85.86 18.45 2.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.722 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -168.52 -45.26 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.358 178.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt 70.9 -19.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.51 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.526 ' H ' ' C ' ' A' ' 64' ' ' TRP . 97.4 p -89.07 138.41 31.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.337 0.589 . . . . 0.0 111.041 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.646 ' NZ ' HD11 ' A' ' 71' ' ' LEU . 47.2 tttm -66.07 -51.49 57.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.256 -0.884 . . . . 0.0 113.214 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -60.1 -37.82 81.12 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.927 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 81.1 m-20 -64.31 -47.46 79.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.774 -0.77 . . . . 0.0 109.743 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.519 HG12 ' CD1' ' A' ' 64' ' ' TRP . 88.2 mt -59.82 -43.57 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.361 -0.535 . . . . 0.0 110.871 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' NZ ' ' A' ' 67' ' ' LYS . 73.1 mt -53.81 -42.23 68.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.51 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -59.32 -44.12 92.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 7.0 mptt -64.4 -50.88 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.501 ' CD2' ' CD2' ' A' ' 21' ' ' PHE . 6.6 mp -57.28 -39.6 76.01 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.747 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -58.01 -47.09 84.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -64.07 -41.72 97.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.621 ' O ' ' N ' ' A' ' 81' ' ' ASP . 76.8 mt-30 -68.77 -43.2 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -45.13 77.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.219 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.494 ' N ' HD22 ' A' ' 79' ' ' ASN . 2.0 m120 -66.4 -42.76 87.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 81' ' ' ASP . 67.9 mttt -89.17 -4.8 58.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.531 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.621 ' N ' ' O ' ' A' ' 77' ' ' GLN . 41.8 p30 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.71 -32.11 89.96 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.251 1.967 . . . . 0.0 110.705 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.94 129.85 45.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.738 178.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.63 -179.94 45.55 Favored Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -84.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.906 0.384 . . . . 0.0 111.113 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 50.2 mtt 59.92 27.53 16.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.64 -179.181 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -57.0 134.74 56.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.489 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -80.04 164.15 23.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.743 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -75.38 151.82 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.963 0.411 . . . . 0.0 111.419 -179.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.2 p -87.53 160.42 18.24 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.173 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.02 -42.44 72.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.202 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.6 -47.16 82.57 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 110.599 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 77.2 mm-40 -65.49 -39.24 91.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.027 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.433 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 7.5 t-105 -62.48 -43.8 97.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.741 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -55.43 -43.73 75.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.798 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 50.2 mt-30 -60.1 -39.76 87.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.677 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.6 -39.28 91.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.821 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.575 ' HZ2' ' CG ' ' A' ' 51' ' ' HIS . 30.3 mttt -58.27 -42.11 85.77 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 179.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -61.26 -38.44 86.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -62.1 -46.34 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.103 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.531 ' CE1' HD22 ' A' ' 74' ' ' LEU . 37.4 m-85 -64.07 -46.56 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.879 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.79 HG23 HD22 ' A' ' 45' ' ' ASN . 94.9 mt -57.62 -50.93 75.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 m -56.76 -38.54 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.188 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.46 -35.49 66.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 178.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.436 HD12 HE21 ' A' ' 30' ' ' GLN . 8.7 mm -71.62 -41.09 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.372 -0.414 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.943 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -77.04 -28.1 54.67 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.22 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -79.23 -33.51 43.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.661 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 56.1 t-20 -100.13 156.68 17.06 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.454 0.645 . . . . 0.0 111.534 -179.084 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.661 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 22.4 tp10 -55.2 -21.18 12.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.555 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.436 HE21 HD12 ' A' ' 25' ' ' ILE . 27.6 mt-30 -48.41 -11.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.286 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 34' ' ' VAL . 16.8 pttp -56.78 -34.35 67.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.164 0.507 . . . . 0.0 110.186 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.16 -42.93 99.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.391 -179.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' ' 33' ' ' LEU . 5.0 mp -66.9 -37.06 83.66 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.258 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -65.01 -38.0 81.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.111 -179.823 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -63.77 -39.68 94.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.937 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -58.15 -42.53 86.12 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.443 -0.503 . . . . 0.0 109.674 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.966 HD22 ' OE1' ' A' ' 46' ' ' GLN . 10.4 tt -71.83 -47.36 53.67 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.491 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 41' ' ' ASP . 93.4 m -117.11 125.95 52.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.139 179.415 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -96.62 164.37 12.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.077 0.465 . . . . 0.0 111.671 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 t 55.02 22.26 4.3 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.502 178.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.529 ' HB2' HG22 ' A' ' 38' ' ' THR . 6.2 m-20 -137.47 73.69 48.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.29 -35.01 99.15 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.292 1.995 . . . . 0.0 111.956 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 42.7 mt -99.57 -72.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.696 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.4 ttp -40.35 104.84 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.79 HD22 HG23 ' A' ' 22' ' ' ILE . 45.8 m-80 -91.97 59.77 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.136 -178.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.966 ' OE1' HD22 ' A' ' 37' ' ' LEU . 19.0 pt20 46.84 65.7 1.16 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.674 0.75 . . . . 0.0 110.148 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 15.2 mt -53.58 -47.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.795 -179.422 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -58.78 -47.36 84.98 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.527 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.524 ' HB2' HE21 ' A' ' 46' ' ' GLN . 57.9 mt -69.42 -42.87 74.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -44.33 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.044 -179.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.575 ' CG ' ' HZ2' ' A' ' 18' ' ' LYS . 11.9 m170 -59.23 -48.89 79.92 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -59.95 -45.85 91.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.429 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 43.0 t90 -57.79 -57.49 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.368 0.604 . . . . 0.0 110.641 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ARG . 9.2 tp -56.85 -50.91 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.091 -178.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -55.65 -41.87 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.02 -31.2 71.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.575 ' O ' ' SD ' ' A' ' 60' ' ' MET . 97.7 m-70 -116.59 18.99 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.749 -179.465 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 ptm180 -55.02 -34.64 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.574 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 59.0 t0 -55.61 -26.13 42.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 111.113 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.731 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 6.8 ptt? -60.39 -32.68 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.485 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 62' ' ' GLU . 14.6 p -59.52 -30.24 68.44 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.988 0.423 . . . . 0.0 110.091 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.8 mt-10 -74.94 -13.47 60.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.296 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -85.95 -62.0 1.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.731 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -82.45 -46.63 13.23 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.89 -179.052 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp 67.09 -14.69 0.17 Allowed 'General case' 0 CA--C 1.534 0.327 0 O-C-N 123.341 0.4 . . . . 0.0 111.528 -178.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 64' ' ' TRP . 34.5 p -92.39 136.29 33.32 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.752 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -65.76 -56.16 13.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.13 -36.29 77.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.673 -178.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 52.9 t0 -64.7 -50.91 65.09 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.695 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.529 HG12 ' CD1' ' A' ' 64' ' ' TRP . 25.2 mt -59.23 -43.41 89.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.523 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.12 -40.75 74.21 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.675 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -61.71 -45.69 92.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.773 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.512 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 18.1 mmmt -61.68 -50.75 71.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.721 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.531 HD22 ' CE1' ' A' ' 21' ' ' PHE . 6.0 mp -58.65 -38.93 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.582 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.409 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 79.1 m-20 -55.47 -47.13 76.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.43 -40.82 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.66 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.644 HE21 ' NZ ' ' A' ' 80' ' ' LYS . 1.2 tp60 -68.61 -44.0 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.552 -179.167 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -58.12 -42.39 85.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.239 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -68.08 -30.9 70.19 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.156 0.503 . . . . 0.0 109.96 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.644 ' NZ ' HE21 ' A' ' 77' ' ' GLN . 13.8 ttpt -91.9 -6.97 50.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.087 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' GLN . 79.3 m-20 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.584 -179.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.48 142.54 23.1 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.574 2.183 . . . . 0.0 111.591 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.4 mt -84.57 139.93 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.098 0.475 . . . . 0.0 110.963 -179.267 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.612 ' O ' ' ND2' ' A' ' 7' ' ' ASN . . . 162.0 154.21 7.43 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -70.05 -1.21 9.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.525 -0.47 . . . . 0.0 109.733 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.37 -1.31 57.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.592 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.612 ' ND2' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -98.03 160.1 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.042 0.449 . . . . 0.0 111.345 -179.464 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -78.59 165.13 24.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.811 179.349 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -76.4 149.13 36.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.439 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -80.21 157.2 26.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.406 -178.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -53.36 -43.04 67.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.008 -179.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.64 -45.89 88.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -66.49 -37.63 85.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.171 179.31 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.592 ' CZ3' ' CD2' ' A' ' 17' ' ' LEU . 8.1 t-105 -62.33 -45.9 91.13 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.384 179.567 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.592 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 80.2 m-20 -56.66 -39.56 73.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.192 0.52 . . . . 0.0 110.209 179.317 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -63.8 -43.11 97.27 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.592 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 54.1 tp -60.8 -40.56 93.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.651 179.172 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 27.9 mttt -58.67 -44.18 90.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 110.429 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.711 ' NE2' HD12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -61.97 -41.78 98.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.511 -179.619 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -58.9 -42.44 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.02 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 71' ' ' LEU . 4.9 m-30 -66.26 -45.43 80.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.711 HD12 ' NE2' ' A' ' 19' ' ' GLN . 66.6 mt -57.93 -48.94 82.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.511 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.438 ' HA ' HD23 ' A' ' 26' ' ' LEU . 8.4 t -57.13 -43.09 82.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.435 179.261 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -37.18 92.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.43 ' HA ' HD13 ' A' ' 25' ' ' ILE . 28.1 mm -71.03 -44.52 75.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 110.208 -0.294 . . . . 0.0 110.208 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.818 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -71.19 -30.18 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.049 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 50.7 tp10 -76.25 -25.2 54.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.119 178.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -103.93 166.79 10.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.017 -179.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.81 -26.93 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.03 178.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -53.21 -15.35 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -34.28 66.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -66.67 -42.26 86.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.776 ' CD2' HD22 ' A' ' 79' ' ' ASN . 9.3 mp -61.41 -36.76 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.248 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -62.35 -45.71 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.693 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -63.46 -44.87 93.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.839 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.7 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 16.7 mtpp -61.99 -40.61 96.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.875 179.454 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' OE1' ' A' ' 46' ' ' GLN . 6.8 tt -52.26 -44.71 65.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.315 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 40' ' ' SER . 9.7 t -107.33 -0.05 22.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.01 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.7 ' ND2' ' O ' ' A' ' 36' ' ' LYS . 6.0 m120 51.31 32.2 8.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.592 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.512 ' O ' ' C ' ' A' ' 41' ' ' ASP . 70.7 p -179.17 -116.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.34 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' A' ' 40' ' ' SER . 36.8 m-20 -28.82 97.53 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.704 -179.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.536 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 88.2 Cg_endo -85.62 -61.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.749 2.3 . . . . 0.0 112.0 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.705 ' C ' HD22 ' A' ' 45' ' ' ASN . 12.3 mm -52.52 -35.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.538 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.477 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 13.3 ttt -54.77 -31.12 58.31 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.002 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.705 HD22 ' C ' ' A' ' 43' ' ' ILE . 1.0 OUTLIER 50.44 33.39 7.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.357 179.673 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.592 HE21 ' HB2' ' A' ' 49' ' ' LEU . 4.2 pt20 46.74 58.28 4.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.767 0.794 . . . . 0.0 109.053 -178.605 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.699 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 5.7 mt -43.12 -53.95 4.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.796 -178.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -60.58 -51.17 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.592 ' HB2' HE21 ' A' ' 46' ' ' GLN . 3.5 mt -65.97 -41.32 91.33 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.828 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -58.59 -44.09 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.771 -179.294 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.699 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 18.6 m170 -58.23 -47.95 81.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.227 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -60.29 -47.84 84.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.01 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -60.07 -52.33 65.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.307 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -56.73 -51.25 69.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 70.2 m-20 -55.16 -42.93 73.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.401 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -61.86 -28.52 69.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.468 -179.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 60' ' ' MET . 98.6 m-70 -104.19 15.9 27.39 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.786 0.327 . . . . 0.0 111.658 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.665 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.0 ptm180 -59.89 -35.82 75.65 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.201 -179.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.49 -50.67 71.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.802 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.752 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.1 ptm -62.97 -31.73 72.91 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.327 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.665 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.9 p -64.75 -27.89 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.443 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -68.18 -20.4 64.86 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 60' ' ' MET . 2.3 pttt -81.05 -66.28 0.91 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.435 -0.906 . . . . 0.0 111.785 -178.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.752 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -69.28 -32.69 72.02 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.289 -178.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp 47.06 -1.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.651 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.682 ' H ' ' C ' ' A' ' 64' ' ' TRP . 8.8 p -86.52 131.74 34.1 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.728 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.561 ' O ' HD23 ' A' ' 71' ' ' LEU . 34.3 tttm -63.25 -47.68 81.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.373 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -63.18 -41.56 99.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.941 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' OD2' ' OG ' ' A' ' 66' ' ' SER . 69.8 m-20 -62.94 -52.03 64.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.025 -179.17 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.576 HG22 HD13 ' A' ' 74' ' ' LEU . 71.5 mt -62.36 -45.12 99.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -179.129 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -57.13 -40.35 76.94 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.143 -179.572 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.614 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 78.2 t60 -61.51 -45.43 94.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.657 179.736 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 3.2 mptt -61.11 -47.97 83.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.717 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 HG22 ' A' ' 70' ' ' ILE . 8.1 mp -56.6 -46.25 80.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.279 179.761 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.513 ' O ' ' OD1' ' A' ' 79' ' ' ASN . 1.9 m120 -54.21 -47.07 72.53 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.661 -178.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.614 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.6 mp0 -70.4 -38.52 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -69.66 -41.91 74.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.441 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.5 t-105 -55.42 -40.24 71.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.294 178.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.776 HD22 ' CD2' ' A' ' 33' ' ' LEU . 24.3 m120 -68.02 -44.42 76.52 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 179.469 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -60.89 -30.04 69.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.645 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.3 t0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.188 179.562 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' O ' ' SD ' ' A' ' 6' ' ' MET . 46.3 Cg_endo -72.14 -7.87 21.79 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.89 1.727 . . . . 0.0 111.789 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.624 ' O ' ' O ' ' A' ' 4' ' ' GLY . 81.4 mt -91.14 -5.54 54.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.501 179.516 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.624 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . -26.29 -107.92 0.0 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.945 -179.649 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -78.61 7.14 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.09 0.472 . . . . 0.0 110.298 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.462 ' SD ' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -99.92 -0.88 38.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.287 179.135 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 3' ' ' LEU . 51.8 p-10 -63.21 142.43 58.39 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.174 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -73.4 167.52 21.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.972 -178.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -77.96 142.8 38.1 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.116 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.1 p -84.04 160.48 20.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.822 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -51.13 -43.39 61.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.053 -179.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 77.3 m-20 -68.06 -45.04 74.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.08 -38.12 87.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.462 0.649 . . . . 0.0 109.28 178.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 5.1 t-105 -63.63 -48.01 79.01 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.364 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.646 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 94.1 m-20 -55.92 -41.74 75.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -60.89 -42.42 97.95 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.437 HD11 ' CE1' ' A' ' 21' ' ' PHE . 44.0 tp -58.75 -40.49 83.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.299 179.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 21.4 mttm -60.39 -45.09 94.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.646 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -58.65 -43.82 89.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.067 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.09 -42.79 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.683 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.47 ' HZ ' HG21 ' A' ' 70' ' ' ILE . 4.4 m-30 -62.4 -50.22 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 109.443 179.319 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.548 HG23 ' OD1' ' A' ' 45' ' ' ASN . 85.5 mt -58.61 -47.46 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.617 179.035 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' GLU . 22.9 t -56.46 -44.51 80.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.202 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.01 -31.95 79.41 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.952 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.538 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 62.8 mt -73.71 -26.97 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.284 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.044 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -90.14 -27.21 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.213 178.483 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' SER . 45.3 tp10 -74.72 -46.28 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.765 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.33 162.44 22.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.959 0.409 . . . . 0.0 111.249 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.36 -17.89 23.57 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.897 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.819 HE22 ' ND2' ' A' ' 75' ' ' ASN . 92.9 mt-30 -57.43 -18.67 19.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.932 -178.667 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.0 pttt -52.8 -28.55 23.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -53.69 -33.08 54.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.801 0.334 . . . . 0.0 111.546 -179.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.18 -38.84 68.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.852 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 31' ' ' LYS . 1.7 p -57.85 -40.32 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.795 0.331 . . . . 0.0 110.848 -179.468 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -64.51 -39.19 93.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -63.5 -40.59 97.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.062 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.804 HD13 ' OE1' ' A' ' 46' ' ' GLN . 8.6 tt -78.33 -53.25 7.5 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.601 ' O ' ' C ' ' A' ' 39' ' ' ASN . 3.0 m -110.17 120.31 42.05 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.919 -178.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.601 ' C ' ' O ' ' A' ' 38' ' ' THR . 5.0 m120 13.65 -122.69 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.832 179.297 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.6 p -125.37 46.95 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.07 145.45 53.01 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.01 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 63.2 Cg_endo -81.85 -81.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.7 2.267 . . . . 0.0 114.415 -179.241 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.422 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 36.4 pt -89.85 0.74 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.603 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 13.2 tpt -43.53 -38.54 2.97 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.202 -179.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.659 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.8 OUTLIER 45.23 16.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.295 -179.332 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.804 ' OE1' HD13 ' A' ' 37' ' ' LEU . 45.6 mt-30 59.7 51.36 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.607 179.518 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.705 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 36.8 mt -39.47 -56.02 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -58.42 -51.6 69.15 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.6 -36.04 75.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.658 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -46.41 90.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.566 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.705 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 81.7 m-70 -57.9 -48.99 78.25 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.784 0.326 . . . . 0.0 110.616 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.24 -50.25 72.49 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -57.26 -54.17 49.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.214 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.47 -51.33 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.587 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.474 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 59.6 m-20 -56.46 -39.27 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.635 -179.211 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' HD2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -67.04 -32.11 73.09 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 -179.677 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.513 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 24.5 m-70 -110.47 18.54 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.365 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.559 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.2 ptm180 -54.73 -34.37 62.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.25 179.496 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.65 -36.25 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.426 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.694 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.7 ptt? -55.6 -28.51 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.103 -179.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.9 p -60.99 -27.25 68.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.428 -179.506 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.01 -13.18 61.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.4 mmtt -86.49 17.3 3.9 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.694 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -174.11 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.208 179.201 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 51.39 14.43 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.313 -178.292 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' TRP . 55.2 p -89.95 -161.81 0.82 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.426 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' HZ2' HD11 ' A' ' 71' ' ' LEU . 13.4 tttp -132.42 -65.14 0.74 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.616 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 71' ' ' LEU . 95.9 mt-10 -60.9 -38.67 86.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.623 -178.644 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 77.0 m-20 -63.62 -44.68 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.995 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.64 HG22 HD13 ' A' ' 74' ' ' LEU . 71.5 mt -58.34 -40.41 77.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.778 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD11 ' HZ2' ' A' ' 67' ' ' LYS . 89.1 mt -56.94 -42.27 79.76 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.758 179.256 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -60.81 -43.1 98.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 110.149 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 77' ' ' GLN . 17.4 mmmt -63.21 -53.38 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.745 -179.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.64 HD13 HG22 ' A' ' 70' ' ' ILE . 7.9 mp -57.15 -38.58 73.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.606 -179.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.819 ' ND2' HE22 ' A' ' 30' ' ' GLN . 74.1 m-20 -57.84 -46.17 85.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.217 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -64.45 -40.63 96.09 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.994 179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.607 ' O ' ' N ' ' A' ' 81' ' ' ASP . 99.3 mm-40 -72.64 -38.83 67.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.874 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.538 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 3.0 t-105 -53.94 -47.13 71.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.875 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -69.5 -34.59 74.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.992 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -84.97 -7.88 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.936 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 77' ' ' GLN . 88.3 m-20 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.609 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -57.48 16.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.829 2.353 . . . . 0.0 112.738 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.609 ' H ' ' C ' ' A' ' 1' ' ' GLY . 10.8 mp -65.12 -14.04 59.57 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.172 179.238 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -44.52 -19.55 0.15 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.098 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 12.0 m 111.81 -0.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.216 0.598 . . . . 0.0 110.848 179.366 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.74 -36.84 82.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.205 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -72.42 -159.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.078 0.466 . . . . 0.0 111.82 -178.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.581 ' HD3' HH12 ' A' ' 58' ' ' ARG . 10.7 mttp -76.16 171.73 14.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.894 -178.546 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -80.1 144.11 33.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.239 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.3 p -84.27 158.54 21.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.438 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.25 -42.2 69.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.054 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.416 ' C ' HE21 ' A' ' 16' ' ' GLN . 29.1 m-20 -65.72 -42.54 90.95 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.949 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 67.3 mm-40 -66.79 -38.07 85.81 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.483 178.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 5.0 t-105 -62.75 -48.11 80.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.068 -179.737 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -57.93 -38.79 76.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.062 0.458 . . . . 0.0 110.207 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 13' ' ' GLU . 53.7 mt-30 -63.07 -43.69 97.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 26.3 tp -62.96 -36.51 83.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.408 178.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 25.9 mttt -58.94 -44.64 91.41 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.467 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.625 ' NE2' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -62.87 -42.47 99.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.92 -179.596 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -58.13 -41.08 82.87 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.439 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.708 ' CE1' HD22 ' A' ' 74' ' ' LEU . 25.8 m-85 -65.38 -46.82 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.122 0.487 . . . . 0.0 109.791 178.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.625 HD12 ' NE2' ' A' ' 19' ' ' GLN . 97.7 mt -58.28 -39.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.7 m -59.01 -46.86 87.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.385 179.148 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.569 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . -65.84 -26.07 72.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.592 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 4.2 mm -72.56 -39.37 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.7 -24.99 23.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.77 -179.866 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -71.38 -37.4 71.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.587 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.697 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.4 p-10 -105.68 175.87 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -59.68 -26.47 65.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.911 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.697 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 35.2 mt-30 -49.96 -16.07 0.25 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.157 -179.625 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.711 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 1.3 pttm -56.38 -33.24 65.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.711 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 96.2 m-20 -68.8 -35.19 76.7 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.195 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' CD1' ' ND2' ' A' ' 79' ' ' ASN . 27.4 mt -63.65 -41.53 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.466 -179.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.012 HG23 HE21 ' A' ' 46' ' ' GLN . 4.1 p -70.91 -36.65 64.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.792 178.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.74 95.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.997 179.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -63.48 -43.31 97.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.117 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.894 HD22 ' OE1' ' A' ' 46' ' ' GLN . 6.4 tt -64.23 -37.29 86.94 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.059 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 34' ' ' VAL . 9.3 t -100.44 33.37 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.067 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m120 53.4 -78.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.915 -179.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.7 p -160.48 38.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.138 -179.784 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.602 ' O ' ' O ' ' A' ' 42' ' ' PRO . 1.5 m-20 -75.32 147.3 82.48 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.481 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.602 ' O ' ' O ' ' A' ' 41' ' ' ASP . 75.0 Cg_exo -46.27 -127.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.925 2.417 . . . . 0.0 112.617 179.614 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 43' ' ' ILE . 22.3 mt -88.69 16.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.497 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 11.4 tpt -46.49 -33.52 4.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.516 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.476 ' CG ' ' O ' ' A' ' 44' ' ' MET . 0.6 OUTLIER 44.56 21.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.109 178.722 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 1.012 HE21 HG23 ' A' ' 34' ' ' VAL . 49.8 mt-30 63.9 42.34 6.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.754 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.628 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 17.7 mt -44.7 -51.49 9.2 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.461 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -61.02 -57.36 12.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.658 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.4 mm? -67.34 -42.16 84.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.719 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.6 tt -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.628 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 32.8 m170 -57.68 -50.32 73.57 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.166 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.13 -48.3 82.3 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.495 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.69 -53.4 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.342 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 21' ' ' PHE . 16.7 tp -57.95 -51.63 68.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.135 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -56.82 -42.74 80.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.657 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -62.51 -32.09 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 75.3 m-70 -110.77 14.93 22.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.666 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.612 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.5 ptm180 -53.44 -35.32 60.35 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.805 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -29.92 65.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 6.8 ptt? -57.27 -29.1 63.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.464 -178.796 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 27.0 p -62.73 -28.19 69.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.681 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -71.25 -13.02 61.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 64.7 mmtt -86.88 17.78 3.87 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.246 -179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -175.37 -42.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.08 -0.648 . . . . 0.0 112.197 178.879 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 18.8 tttm 61.15 6.47 1.31 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.108 0.48 . . . . 0.0 110.209 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.786 ' O ' HD12 ' A' ' 70' ' ' ILE . 90.6 p -86.83 161.8 18.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.745 179.487 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 74.4 tttt -93.69 -66.34 0.93 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.369 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -60.42 -45.29 94.15 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 22.7 t0 -60.05 -45.26 93.45 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.296 -178.288 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 66' ' ' SER . 59.7 mt -58.98 -41.25 82.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 88.9 mt -56.24 -40.95 74.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.361 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -62.58 -45.78 91.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 8.7 mmmm -63.22 -52.99 60.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.358 -179.277 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.708 HD22 ' CE1' ' A' ' 21' ' ' PHE . 8.4 mp -57.27 -41.19 79.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.164 -0.615 . . . . 0.0 110.303 -179.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.544 ' HA ' HE22 ' A' ' 30' ' ' GLN . 76.1 m-20 -55.46 -44.65 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.004 0.431 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.495 ' HG2' ' NZ ' ' A' ' 80' ' ' LYS . 68.8 tt0 -69.2 -38.8 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.052 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -70.56 -37.32 73.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.592 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.8 t90 -58.31 -43.88 88.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.868 179.036 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.509 ' ND2' ' CD1' ' A' ' 33' ' ' LEU . 2.7 m120 -65.14 -36.81 85.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.001 -179.697 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.495 ' NZ ' ' HG2' ' A' ' 76' ' ' GLU . 45.0 mttp -78.98 -73.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.19 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.7 t0 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.725 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.256 -1.537 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -75.52 -82.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.854 0 C-N-CA 122.51 2.14 . . . . 0.0 112.739 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 tp 40.43 49.72 2.65 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.095 -179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 6' ' ' MET . . . -83.76 -164.94 37.71 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.893 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -64.14 -1.6 1.65 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.763 0.316 . . . . 0.0 110.415 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.405 ' H ' ' C ' ' A' ' 4' ' ' GLY . 76.7 mtm -56.97 -34.12 67.75 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.277 0.56 . . . . 0.0 109.584 179.699 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.42 ' N ' HD22 ' A' ' 7' ' ' ASN . 3.6 m120 -40.5 138.17 0.99 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.486 -179.512 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -81.67 158.49 24.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.056 -178.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -74.42 147.88 41.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.247 0.546 . . . . 0.0 111.667 -179.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.0 p -83.12 161.2 21.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -54.24 -38.41 65.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.956 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.58 -49.59 65.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.753 -179.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.704 0.764 . . . . 0.0 109.418 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.522 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 6.8 t-105 -63.12 -49.72 73.29 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.138 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -55.06 -38.69 68.34 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.462 179.517 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -64.29 -43.79 93.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.286 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 21' ' ' PHE . 57.6 tp -59.79 -38.68 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.404 179.105 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 27.6 mttt -60.78 -47.78 84.79 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.951 -179.082 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -60.51 -40.06 90.07 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.218 -179.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -61.75 -44.89 96.03 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -62.42 -45.32 93.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.66 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.74 -50.14 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.219 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 t -56.93 -38.28 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.819 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.66 -32.6 83.61 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.704 HD11 ' CZ3' ' A' ' 78' ' ' TRP . 6.6 mm -67.56 -33.66 63.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.781 -0.21 . . . . 0.0 110.586 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.832 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -88.09 -20.99 24.95 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.168 179.424 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -72.23 -34.26 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.699 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -95.9 146.44 24.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.365 0.603 . . . . 0.0 111.614 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -59.24 -26.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -52.75 -17.47 1.36 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.4 pttp -49.7 -22.32 1.33 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.78 0.8 . . . . 0.0 109.697 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -54.75 -42.05 71.15 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.015 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.58 -52.94 62.33 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.12 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 31' ' ' LYS . 4.6 p -60.88 -28.49 43.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.266 0.555 . . . . 0.0 110.204 -179.303 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 40' ' ' SER . . . -64.31 -46.42 83.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.397 179.482 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -68.43 -38.07 80.84 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.849 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.817 HD13 HE22 ' A' ' 46' ' ' GLN . 7.6 tt -59.54 -36.28 75.85 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.384 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.542 ' OG1' ' CG ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -107.26 18.4 21.69 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.036 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.681 ' O ' ' OG ' ' A' ' 40' ' ' SER . 45.9 m-20 61.3 55.99 2.78 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.713 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.681 ' OG ' ' O ' ' A' ' 39' ' ' ASN . 4.1 p 61.54 87.4 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.687 -179.456 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.707 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -105.32 146.97 33.79 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.881 179.329 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.36 -99.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.298 -2.087 0 C-N-CA 122.481 2.121 . . . . 0.0 112.313 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 43' ' ' ILE . 77.0 mt -104.43 -8.75 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.476 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.428 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 13.7 ttt -61.05 -47.53 85.96 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.177 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 51.8 m-80 50.14 50.07 19.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.935 -179.091 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.817 HE22 HD13 ' A' ' 37' ' ' LEU . 14.6 pt20 49.65 64.11 1.89 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.905 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 13.6 mt -52.31 -46.96 66.18 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.526 -179.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 6.6 p-10 -59.17 -52.48 65.53 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.088 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.437 ' HB2' ' OE1' ' A' ' 46' ' ' GLN . 35.8 mt -66.81 -38.26 86.13 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.296 179.677 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.5 OUTLIER -59.3 -46.67 87.92 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.048 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.1 m170 -59.86 -50.13 74.99 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.038 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.81 -48.57 81.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.43 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 63.0 t90 -57.59 -55.63 32.33 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.108 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 58' ' ' ARG . 11.2 tp -56.28 -50.52 71.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -55.13 -45.54 75.57 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.508 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -61.91 -31.07 71.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 53' ' ' TRP . 62.6 m-70 -110.77 14.61 22.2 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.466 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 14.9 ptm180 -54.41 -34.42 61.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 111.011 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.85 -27.58 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.722 179.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.76 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 9.8 ptm -59.11 -29.08 67.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 10.1 p -60.77 -27.3 67.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.288 -179.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -75.52 -12.76 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.061 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.5 mttp -86.96 20.84 2.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.915 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.76 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.0 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 178.153 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 tttm 62.32 49.47 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 109.946 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.635 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 27.7 p -147.31 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.198 -178.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 46.1 tttm -99.55 -61.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -59.23 -41.59 89.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.23 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 23.8 t0 -63.32 -47.93 80.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.455 -179.331 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.635 ' CD1' ' O ' ' A' ' 66' ' ' SER . 42.3 mt -60.65 -40.78 85.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.296 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.483 HD21 ' CD1' ' A' ' 21' ' ' PHE . 56.1 mt -58.8 -42.32 88.84 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.169 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -60.37 -44.7 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.731 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 73' ' ' LYS . 1.7 mmmm -60.6 -50.14 74.73 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.311 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 70' ' ' ILE . 10.1 mp -54.88 -43.61 73.34 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.086 -179.367 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -57.95 -46.56 84.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.212 -179.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.83 -39.49 90.88 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.733 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -71.78 -41.54 68.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.704 ' CZ3' HD11 ' A' ' 25' ' ' ILE . 1.5 t90 -54.1 -42.94 69.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.499 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' N ' HD22 ' A' ' 79' ' ' ASN . 2.6 m120 -71.2 -43.2 67.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.408 0.623 . . . . 0.0 109.883 179.558 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -62.45 -34.42 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.405 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.832 -178.976 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -51.51 154.13 9.34 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.753 2.302 . . . . 0.0 112.277 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.43 -75.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.019 179.467 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -118.73 76.0 0.3 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 4' ' ' GLY . 60.2 p 30.92 52.28 0.14 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.86 0.362 . . . . 0.0 110.521 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.5 mtt -91.45 115.73 28.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.589 ' OD1' ' O ' ' A' ' 7' ' ' ASN . 29.9 p-10 -119.58 146.42 45.52 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.472 179.565 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -89.59 171.24 9.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.199 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.437 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 73.8 m-85 -77.79 144.88 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.86 179.524 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 68.6 p -81.7 159.7 23.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.677 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 15' ' ' ASN . 92.9 m-20 -53.84 -40.81 66.78 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.316 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.604 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 75.0 m-20 -65.49 -48.01 74.06 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.929 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.645 0.735 . . . . 0.0 109.641 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.483 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 4.2 t-105 -63.29 -46.14 88.14 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.865 -1.062 . . . . 0.0 109.782 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.592 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 57.4 m-20 -54.41 -39.92 67.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.952 0.406 . . . . 0.0 110.431 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.604 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.6 mp0 -64.33 -42.5 96.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 21' ' ' PHE . 33.2 tp -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.9 178.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.506 ' HZ3' ' HA ' ' A' ' 51' ' ' HIS . 25.9 mttt -60.36 -46.95 88.13 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.873 179.749 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.592 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -59.65 -40.22 86.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.121 -179.907 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.1 -48.08 77.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.0 m-30 -62.61 -44.59 95.91 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.725 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 HE21 ' A' ' 19' ' ' GLN . 92.5 mt -57.12 -51.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.516 178.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -56.09 -35.27 66.83 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.37 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.65 -42.15 97.71 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.441 ' CD1' ' CZ3' ' A' ' 78' ' ' TRP . 1.2 mp -75.24 -23.95 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.701 0.286 . . . . 0.0 111.285 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -92.04 -26.39 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.229 -179.562 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -31.4 50.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.94 178.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 37.6 p30 -100.59 -177.13 3.4 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.416 0.627 . . . . 0.0 111.828 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.97 -25.65 68.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.413 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -51.5 -15.33 0.41 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -56.28 -39.82 73.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.989 0.423 . . . . 0.0 110.979 -179.711 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -59.49 -40.18 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.182 179.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.665 ' CD2' ' ND2' ' A' ' 79' ' ' ASN . 9.1 mp -59.69 -39.77 85.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.184 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -64.4 -42.55 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.413 179.058 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.647 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -64.32 -45.57 87.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -59.93 -37.93 80.89 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.717 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.715 HD22 ' CD ' ' A' ' 46' ' ' GLN . 7.9 tt -67.42 -42.49 83.11 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.817 179.043 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.774 HG21 ' HB2' ' A' ' 41' ' ' ASP . 5.2 m -96.07 126.03 41.02 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -52.51 -41.29 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.682 -179.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -128.41 -73.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.038 0.447 . . . . 0.0 110.556 -179.646 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.774 ' HB2' HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER -30.93 95.83 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.105 -179.803 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' SER . 62.8 Cg_endo -87.16 -65.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 123.122 2.548 . . . . 0.0 111.979 179.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.717 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 18.8 mm -62.94 -29.73 47.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.102 0.477 . . . . 0.0 110.584 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.448 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 12.5 ttt -51.01 -31.15 17.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.102 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.717 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 69.4 m-80 53.3 28.92 7.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.348 179.39 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.715 ' CD ' HD22 ' A' ' 37' ' ' LEU . 7.6 mt-30 61.34 46.93 7.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.787 179.416 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.549 HD23 ' NE2' ' A' ' 51' ' ' HIS . 5.9 mt -36.51 -54.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.573 -179.033 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 49' ' ' LEU . 46.8 p-10 -61.25 -49.14 78.31 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -177.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.562 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 53.7 mt -70.1 -42.25 72.95 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.716 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.695 HD23 ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -60.52 -45.06 95.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 -179.181 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.549 ' NE2' HD23 ' A' ' 47' ' ' LEU . 17.2 m170 -58.15 -48.77 79.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.45 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -60.55 -45.9 92.16 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -56.39 -56.29 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.411 -178.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' A' ' 51' ' ' HIS . 65.9 m-20 -57.46 -43.26 83.84 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -62.54 -30.31 71.21 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.747 -178.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.587 ' O ' ' SD ' ' A' ' 60' ' ' MET . 2.8 m-70 -111.65 19.78 17.75 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.67 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 15.5 ptm180 -56.23 -33.03 65.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.819 0.342 . . . . 0.0 111.303 178.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -53.89 -36.01 62.21 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.5 -178.795 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.589 ' HG3' ' HE1' ' A' ' 64' ' ' TRP . 3.2 ptt? -58.19 -29.09 65.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.373 -178.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.67 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 17.6 p -64.89 -28.36 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.083 0.468 . . . . 0.0 110.892 -179.261 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -69.67 -22.47 63.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 -179.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.85 -76.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.044 -179.41 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.733 ' O ' ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -82.17 31.97 0.39 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.535 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 64' ' ' TRP . 80.1 tttt -30.76 77.59 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.916 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 64' ' ' TRP . 2.9 p -162.37 113.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.139 179.089 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.8 tttm -47.02 -63.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.76 -39.91 86.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.008 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 61.5 m-20 -65.74 -44.74 85.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.976 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.607 HG22 HD22 ' A' ' 74' ' ' LEU . 80.9 mt -58.11 -45.8 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.968 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 87.8 mt -55.8 -41.45 74.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.707 ' C ' ' HD1' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -64.25 -51.82 61.71 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.023 179.634 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.466 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 26.1 mmmt -58.2 -51.57 69.19 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.083 -179.416 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD22 HG22 ' A' ' 70' ' ' ILE . 5.6 mp -57.79 -39.83 78.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.866 179.585 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.551 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 83.7 m-20 -57.52 -43.77 84.55 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.415 179.475 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -67.06 -38.54 85.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.31 -42.7 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.933 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.441 ' CZ3' ' CD1' ' A' ' 25' ' ' ILE . 1.8 t90 -56.51 -40.25 74.69 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.758 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.665 ' ND2' ' CD2' ' A' ' 33' ' ' LEU . 6.7 m120 -64.54 -39.97 94.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.723 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.572 ' O ' ' O ' ' A' ' 81' ' ' ASP . 18.7 mmtm -84.98 -3.82 58.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.853 179.461 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' A' ' 80' ' ' LYS . 47.2 t0 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.714 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.37 145.69 8.11 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.841 2.361 . . . . 0.0 112.272 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 tt -82.08 138.45 34.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.439 -179.077 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.89 -157.14 7.97 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -78.11 0.18 25.74 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.857 0.36 . . . . 0.0 110.745 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.446 ' O ' ' CG ' ' A' ' 6' ' ' MET . 0.9 OUTLIER -83.53 124.37 30.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.671 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -130.96 69.94 1.47 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -87.88 153.48 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.228 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -75.2 152.72 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -85.47 160.81 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.129 179.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.05 -39.53 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.15 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -65.4 -46.71 78.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.988 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -64.85 -38.99 92.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.625 ' NE1' ' OD1' ' A' ' 55' ' ' ASP . 7.3 t-105 -62.1 -47.07 86.24 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.451 179.679 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -54.6 -40.3 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.169 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.82 -43.63 92.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.095 179.368 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 21' ' ' PHE . 17.5 tp -65.51 -42.22 92.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.882 178.773 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HD3' HD23 ' A' ' 54' ' ' LEU . 11.9 mtmt -61.9 -43.93 97.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.465 -179.822 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.23 -40.38 97.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.46 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -60.28 -43.88 95.85 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.11 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.71 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.5 m-30 -60.89 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.7 mt -58.97 -46.8 91.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.424 178.192 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.9 m -56.5 -44.02 80.31 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.18 -31.74 81.85 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.558 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 18.5 mt -71.95 -43.49 68.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 179.782 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.872 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -77.26 -23.31 51.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.194 179.88 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -73.85 -38.62 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.089 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.558 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 57.3 p30 -90.42 161.54 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.142 0.496 . . . . 0.0 111.891 -178.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.609 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.5 tt0 -63.24 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.637 179.481 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -55.01 -4.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.609 ' H ' ' C ' ' A' ' 29' ' ' GLU . 23.6 pttm -61.14 -28.9 69.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.621 179.413 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -58.38 -36.51 73.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 33' ' ' LEU . 5.3 mp -62.06 -46.92 87.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.509 -179.244 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 38' ' ' THR . 7.6 p -70.2 -32.33 50.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.178 179.614 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.28 88.34 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -61.21 -43.61 98.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.666 178.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.767 HD22 ' OE1' ' A' ' 46' ' ' GLN . 7.4 tt -66.92 -38.23 85.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.788 179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 34' ' ' VAL . 41.2 p -66.33 8.04 0.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.892 0.377 . . . . 0.0 110.22 179.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.56 ' H ' ' C ' ' A' ' 37' ' ' LEU . 44.2 t-20 72.9 -44.05 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.937 179.698 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.36 9.13 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.648 179.514 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.17 155.14 90.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.603 0.239 . . . . 0.0 110.373 179.716 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -75.83 -89.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.315 2.01 . . . . 0.0 111.844 179.229 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.826 ' O ' ' N ' ' A' ' 45' ' ' ASN . 15.0 mm -79.99 -76.58 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.545 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.531 ' C ' ' O ' ' A' ' 43' ' ' ILE . 0.6 OUTLIER 21.46 -72.1 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.485 0.491 . . . . 0.0 111.108 -179.352 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.826 ' N ' ' O ' ' A' ' 43' ' ' ILE . 31.4 m120 73.57 41.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.216 179.299 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.767 ' OE1' HD22 ' A' ' 37' ' ' LEU . 16.6 pt20 46.4 59.57 3.77 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.844 0.831 . . . . 0.0 110.453 -179.077 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.39 -50.31 65.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.931 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.54 -51.06 71.06 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.722 -178.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.6 -45.18 80.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.668 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.9 tt -59.21 -40.18 84.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.225 -178.704 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.58 -47.43 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.01 179.645 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -61.64 -46.72 88.56 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.12 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -58.3 -57.18 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.103 0.477 . . . . 0.0 110.39 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.531 HD23 ' HD3' ' A' ' 18' ' ' LYS . 13.4 tp -55.55 -48.96 73.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.209 -179.056 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.625 ' OD1' ' NE1' ' A' ' 14' ' ' TRP . 98.5 m-20 -57.84 -44.78 86.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.811 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -60.06 -29.11 68.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.016 0.436 . . . . 0.0 110.591 -179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 60' ' ' MET . 82.5 m-70 -113.75 20.25 16.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.423 -179.543 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -54.11 -35.48 62.19 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -58.13 -31.91 67.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.701 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.642 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.0 ptt? -59.33 -29.28 67.53 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 p -63.67 -28.81 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.043 0.449 . . . . 0.0 110.365 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' HE3' ' A' ' 65' ' ' LYS . 94.4 mt-10 -74.08 -12.39 60.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.997 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.12 -56.3 4.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.642 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -86.19 -30.94 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.537 -179.354 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.408 ' HE3' ' O ' ' A' ' 62' ' ' GLU . 13.1 mmtp 62.97 -11.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.137 -179.181 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 64' ' ' TRP . 5.1 p -96.2 131.0 43.13 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.212 0.53 . . . . 0.0 111.614 -179.467 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -65.98 -53.72 35.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -60.87 -38.12 84.49 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.581 -0.448 . . . . 0.0 112.046 -177.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.27 -44.39 95.25 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.432 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.576 ' O ' HD13 ' A' ' 74' ' ' LEU . 69.2 mt -58.3 -45.77 89.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.176 -179.642 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 71' ' ' LEU . 67.0 mt -55.78 -39.61 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.698 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.08 -46.54 89.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.9 mmmt -60.13 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.909 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 70' ' ' ILE . 9.0 mp -57.8 -45.5 85.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.203 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -53.84 -45.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.69 -179.51 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -71.08 -40.32 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.005 -179.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -70.71 -36.31 73.18 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.577 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 5.4 t-105 -51.1 -31.64 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.753 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.11 -10.58 60.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.062 0.458 . . . . 0.0 109.948 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -84.49 -12.07 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.854 179.413 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.577 ' OD1' ' O ' ' A' ' 78' ' ' TRP . 42.0 p30 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.412 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.14 142.17 96.93 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.56 2.173 . . . . 0.0 111.527 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.941 ' H ' HD22 ' A' ' 3' ' ' LEU . 1.7 mm? -68.22 149.25 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.152 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.88 -163.84 31.81 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.48 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -74.91 0.86 14.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.142 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -3.48 57.42 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.242 178.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.72 146.11 50.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.823 179.379 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -89.85 171.7 9.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.816 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -75.99 144.83 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.617 -179.303 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 14' ' ' TRP . 44.2 p -79.56 162.58 25.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.939 179.556 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 98.1 m-20 -57.17 -40.53 77.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.371 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.59 -46.6 85.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.91 -40.08 87.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.682 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.434 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 9.2 t-105 -62.79 -49.0 76.7 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.221 179.537 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.567 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.8 m120 -56.18 -39.56 72.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.463 179.297 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -62.38 -43.9 97.72 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 21' ' ' PHE . 65.2 tp -60.54 -38.04 83.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.592 179.173 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.566 ' NZ ' ' CG ' ' A' ' 51' ' ' HIS . 30.4 mttt -58.5 -44.2 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.854 179.58 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.567 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -57.48 -43.89 84.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.849 -179.865 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.61 -44.92 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.891 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.4 m-30 -62.89 -47.67 82.31 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.317 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.797 HG23 ' CG ' ' A' ' 45' ' ' ASN . 59.8 mt -58.22 -51.14 74.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.607 179.146 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 28.9 t -55.98 -41.9 75.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.83 -40.28 94.92 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.83 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 21' ' ' PHE . 16.7 mm -72.11 -39.98 66.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.625 -179.691 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.872 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -74.43 -29.15 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.354 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 23' ' ' SER . 91.5 mt-10 -73.5 -34.67 65.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 111.25 179.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -89.31 146.7 24.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -55.75 -24.88 37.84 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.144 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -48.88 -17.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.732 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -51.78 -25.31 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.403 -178.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -54.39 -30.59 52.64 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.274 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.614 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.896 179.487 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' O ' ' A' ' 43' ' ' ILE . 1.4 t -63.41 -42.16 95.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.171 0.51 . . . . 0.0 109.808 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.39 98.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.049 -179.305 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -68.54 -40.38 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.616 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 37' ' ' LEU . 7.5 tt -62.27 -36.43 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.407 -178.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.587 ' O ' ' C ' ' A' ' 39' ' ' ASN . 99.7 m -106.59 108.36 19.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.138 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' A' ' 38' ' ' THR . 3.8 m120 12.75 -133.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.431 179.832 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 m -97.41 21.56 9.97 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.961 -179.305 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.47 152.35 89.77 Favored Pre-proline 0 C--N 1.331 -0.217 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.741 -179.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.6 -85.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 123.011 2.474 . . . . 0.0 111.837 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.63 ' C ' ' H ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -101.49 -77.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.402 -179.796 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER 64.59 -33.9 0.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.512 -179.937 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.797 ' CG ' HG23 ' A' ' 22' ' ' ILE . 78.6 m-20 59.41 3.91 0.44 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.233 179.541 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 14.7 mt-30 63.36 41.81 7.35 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.102 179.096 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 44' ' ' MET . 77.6 mt -38.3 -58.64 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -177.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.66 -51.75 68.26 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.877 -177.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.7 mm? -69.25 -36.83 77.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.372 179.501 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.5 tt -58.09 -44.91 87.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 -178.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CG ' ' NZ ' ' A' ' 18' ' ' LYS . 30.9 m170 -61.58 -46.18 90.95 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.098 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -61.01 -50.54 72.95 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -56.08 -55.33 34.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.562 0.696 . . . . 0.0 109.598 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.4 -53.67 54.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.113 -179.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -54.52 -39.67 67.85 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.456 HH11 ' CE1' ' A' ' 57' ' ' HIS . 74.9 ttt-85 -65.9 -32.34 73.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.341 -179.506 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.1 m-70 -110.17 13.88 23.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.758 -179.211 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.9 ptm180 -50.26 -33.82 21.07 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.872 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -58.1 -28.74 64.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.862 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.92 -29.41 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.281 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 20.1 p -63.18 -29.95 71.2 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' HG2' ' SG ' ' A' ' 61' ' ' CYS . 73.4 mm-40 -76.54 -12.53 60.04 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.352 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 76.2 mttt -83.98 20.38 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.727 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.49 -43.58 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.94 178.501 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 13.0 tttp 72.86 -15.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.424 179.72 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 64' ' ' TRP . 5.1 p -89.14 126.79 35.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.447 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -59.18 -50.38 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 43.2 mm-40 -58.96 -40.62 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -176.692 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 72.4 m-20 -65.89 -45.1 83.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.303 0.573 . . . . 0.0 110.239 179.641 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.526 HG12 ' CD1' ' A' ' 64' ' ' TRP . 79.1 mt -57.19 -47.69 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.722 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 71' ' ' LEU . 86.5 mt -59.28 -41.01 87.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.705 -179.4 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 68' ' ' GLU . 81.9 m-70 -57.85 -42.02 83.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.017 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 4.4 mptp? -64.94 -49.64 69.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.316 179.006 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.15 -39.89 79.94 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.298 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.87 -49.29 75.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.31 -38.65 90.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.037 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 98.4 mm-40 -68.77 -40.52 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.111 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.82 -42.9 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 0.0 109.913 179.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -60.66 -42.51 97.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.553 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -87.34 -1.03 57.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.705 179.853 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 80' ' ' LYS . 60.9 t0 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.461 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.512 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 61.7 Cg_exo -47.88 138.96 20.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.888 2.392 . . . . 0.0 112.298 -179.743 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 4' ' ' GLY . 17.5 tp -153.67 -115.12 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.853 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' A' ' 3' ' ' LEU . . . 26.19 -141.5 0.01 OUTLIER Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.756 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 m -89.42 17.5 6.17 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.737 0.303 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 54.7 mtt -68.96 103.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.712 -179.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -173.04 130.33 0.48 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.237 179.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -87.27 171.91 10.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.165 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -77.34 145.83 37.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.811 179.372 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p -82.45 162.63 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.978 -179.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -55.51 -42.99 75.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.029 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.716 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 89.2 m-20 -62.05 -46.78 87.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.315 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.87 -41.81 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.538 0.685 . . . . 0.0 109.482 179.036 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.552 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 4.2 t-105 -62.73 -47.23 84.47 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.709 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -54.43 -39.48 67.41 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.869 -0.333 . . . . 0.0 111.321 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.716 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -65.59 -41.98 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.552 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 19.2 tp -60.69 -35.36 76.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.942 179.005 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.532 ' HD3' ' ND1' ' A' ' 51' ' ' HIS . 29.3 mttt -61.68 -48.19 81.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.331 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.85 -39.06 87.72 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.748 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.2 -43.65 92.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.977 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 54' ' ' LEU . 5.9 m-30 -68.32 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.165 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.422 ' CD1' HD22 ' A' ' 47' ' ' LEU . 96.8 mt -58.85 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.607 178.659 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -56.12 -45.99 79.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.668 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CG ' ' A' ' 28' ' ' ASN . . . -59.08 -33.34 74.11 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.631 HG21 HG21 ' A' ' 34' ' ' VAL . 18.9 mm -71.86 -37.9 63.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 O-C-N 122.624 -0.339 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.36 -33.08 37.55 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.154 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 76.9 mm-40 -72.46 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.561 179.172 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.2 p30 -95.02 167.03 11.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.33 0.586 . . . . 0.0 111.477 -179.57 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 31' ' ' LYS . 80.1 tt0 -56.07 -30.3 61.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.289 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' OE1' ' CB ' ' A' ' 75' ' ' ASN . 10.4 mt-30 -50.69 -6.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.147 -178.394 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' GLU . 11.4 ttmm -57.01 -42.84 81.09 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -63.02 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 33' ' ' LEU . 26.7 tp -60.96 -42.98 99.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.293 0.568 . . . . 0.0 110.403 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -67.35 -38.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.337 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -62.66 -40.66 97.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.325 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -58.41 -46.59 86.13 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.243 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.837 HD13 ' OE1' ' A' ' 46' ' ' GLN . 9.1 tt -58.48 -40.62 83.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.28 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.637 ' O ' ' N ' ' A' ' 40' ' ' SER . 28.5 m -112.07 108.75 18.15 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.68 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' A' ' 38' ' ' THR . 99.3 m-20 26.25 -86.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.097 179.19 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.637 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.2 m -172.62 41.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.873 -179.652 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.505 ' C ' HD21 ' A' ' 45' ' ' ASN . 0.5 OUTLIER -84.84 153.01 60.34 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.552 -179.083 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.516 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 85.9 Cg_endo -80.88 -68.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 123.245 2.63 . . . . 0.0 112.679 179.335 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.516 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 77.3 mt -90.97 -72.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.498 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.582 ' O ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -56.42 100.69 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.244 -179.854 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.587 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 11.8 m120 -137.41 103.17 4.99 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.99 -179.737 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.837 ' OE1' HD13 ' A' ' 37' ' ' LEU . 4.8 pt20 47.57 41.06 12.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.32 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 22' ' ' ILE . 44.5 mt -56.19 -43.36 78.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.43 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.03 -45.89 86.2 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.417 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.524 ' HB2' HE21 ' A' ' 46' ' ' GLN . 30.8 mt -65.62 -38.63 89.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.477 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.9 tt -58.15 -44.81 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.215 -179.691 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.532 ' ND1' ' HD3' ' A' ' 18' ' ' LYS . 25.5 m-70 -57.5 -47.72 81.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.229 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -62.95 -47.97 80.9 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.398 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -56.15 -51.92 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.428 0.633 . . . . 0.0 109.329 179.352 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 21' ' ' PHE . 17.3 tp -58.99 -53.15 61.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.078 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -54.97 -41.1 70.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 58.9 ttp180 -65.2 -32.09 73.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.469 ' CE1' ' HE ' ' A' ' 56' ' ' ARG . 3.2 m-70 -109.04 16.72 22.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.294 -179.316 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.666 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 14.4 ptm180 -53.6 -33.77 56.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.843 0.354 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.56 -31.74 66.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.491 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.69 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 4.9 ptt? -57.74 -27.79 63.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -179.044 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 21.5 p -60.91 -28.74 69.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.978 0.418 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -75.03 -15.42 60.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.996 -179.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -85.11 17.15 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.69 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -28.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.775 178.44 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 mttm 52.29 14.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.328 0.585 . . . . 0.0 109.549 -179.256 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 82.6 p -92.44 157.82 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.241 179.051 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' O ' HD23 ' A' ' 71' ' ' LEU . 23.8 tttt -99.42 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 0.0 111.259 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HG2' ' H ' ' A' ' 68' ' ' GLU . 2.4 pt-20 -59.02 -38.79 80.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.79 -178.319 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.485 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 74.9 m-20 -62.71 -42.12 99.48 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.25 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.551 ' CD1' ' O ' ' A' ' 66' ' ' SER . 73.1 mt -59.96 -42.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.761 179.282 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -53.14 -42.15 65.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.634 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -58.87 -42.42 89.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.803 178.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 17.8 mmmt -63.26 -52.84 60.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 74' ' ' LEU . 7.8 mp -57.55 -38.97 75.62 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.178 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.408 ' CB ' ' OE1' ' A' ' 30' ' ' GLN . 95.0 m-20 -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.479 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.17 -38.75 88.83 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.628 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.06 -40.41 75.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.888 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.435 ' CZ2' HG23 ' A' ' 34' ' ' VAL . 2.2 t-105 -55.36 -40.88 71.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -63.96 -46.17 85.89 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -58.95 -31.96 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.28 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.8 t0 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.49 179.684 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -53.98 154.39 17.69 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.747 2.298 . . . . 0.0 112.497 179.672 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pp -86.98 142.08 28.21 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.51 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.93 -164.8 35.65 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -75.48 114.49 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.094 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 ptp -177.24 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.81 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -81.63 -176.18 5.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.11 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -71.71 169.65 15.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.089 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -72.98 155.24 40.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.339 -179.61 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.6 p -84.25 159.79 20.9 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.192 -0.603 . . . . 0.0 110.101 -179.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -54.29 -41.46 68.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.174 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.534 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 55.6 m-20 -64.93 -47.16 78.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.583 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.1 -40.28 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.1 t-105 -60.17 -43.23 96.0 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.621 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 8.3 m120 -54.95 -40.28 69.81 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.578 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -62.37 -44.78 95.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.773 179.701 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 18.1 tp -60.65 -39.37 88.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.386 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 23.8 mttm -60.75 -47.94 84.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.621 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -59.74 -40.5 88.31 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.1 -0.64 . . . . 0.0 109.609 -179.488 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.26 -47.0 88.06 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.371 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 70' ' ' ILE . 4.6 m-30 -62.75 -47.28 84.23 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.402 . . . . 0.0 110.315 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.593 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.7 mt -57.48 -47.99 83.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.197 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.1 m -56.74 -41.4 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.69 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.0 65.47 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.634 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 31.8 mm -67.27 -35.82 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 117.435 0.618 . . . . 0.0 110.043 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -83.02 -20.72 34.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.907 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -71.82 -36.19 70.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.636 179.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.634 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 48.1 p-10 -93.94 153.75 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.758 179.23 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.67 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.556 -178.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -49.56 -21.32 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.974 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -52.85 -22.27 5.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.636 -179.167 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 49.2 t0 -59.72 -36.27 76.22 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.822 179.245 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 33' ' ' LEU . 6.8 mp -65.39 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.05 179.039 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -63.85 -44.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.345 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.639 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -61.36 -39.97 92.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.134 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 18.4 mttp -63.92 -48.5 76.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.268 178.71 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -46.76 -52.32 14.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.07 -179.883 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.667 ' CG2' ' O ' ' A' ' 40' ' ' SER . 4.9 t -104.46 3.74 32.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.338 -179.264 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.639 ' N ' ' O ' ' A' ' 35' ' ' ALA . 12.3 t30 61.8 31.4 18.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.571 179.454 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.667 ' O ' ' CG2' ' A' ' 38' ' ' THR . 1.5 t 154.42 -168.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.476 179.613 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.644 ' N ' ' OG ' ' A' ' 40' ' ' SER . 1.1 m-20 45.06 64.5 7.59 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -178.583 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.715 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 8.3 Cg_exo -67.22 -63.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.302 -1.878 0 C-N-CA 122.471 2.114 . . . . 0.0 111.796 -178.364 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.74 -40.05 67.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.418 -179.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.423 ' HG2' HD12 ' A' ' 47' ' ' LEU . 10.7 ttp -52.81 -27.79 19.73 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.992 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.715 ' ND2' ' O ' ' A' ' 42' ' ' PRO . 6.8 m120 53.87 31.06 12.52 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.008 179.086 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.624 ' OE1' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER 55.99 47.28 20.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.79 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 46' ' ' GLN . 3.4 mt -31.9 -53.89 0.28 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -178.61 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -59.25 -52.88 63.75 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.31 -41.54 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.848 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.4 tt -57.47 -43.23 83.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.035 -178.605 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 19.2 m170 -59.04 -47.82 83.84 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.403 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -58.62 -46.96 85.94 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.197 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.421 ' CH2' ' HG ' ' A' ' 74' ' ' LEU . 52.3 t90 -57.94 -52.5 65.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.09 -50.76 68.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.718 -179.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -56.61 -43.27 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -59.85 -32.35 70.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.373 -179.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' MET . 71.0 m-70 -118.21 23.84 11.34 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.673 -179.327 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.1 ptm180 -54.5 -34.95 62.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.119 0.485 . . . . 0.0 111.043 179.354 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -57.82 -32.3 67.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.171 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 3.5 ptt? -57.73 -27.77 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.664 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.3 p -60.29 -28.31 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.969 -178.829 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.27 -12.17 60.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -178.606 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 20.5 mtpp -86.66 21.71 2.11 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.23 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -170.67 -38.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.66 178.679 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 64' ' ' TRP . 16.4 tttp 67.15 -28.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.58 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.674 ' H ' ' C ' ' A' ' 64' ' ' TRP . 18.1 p -83.09 130.98 35.17 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.661 179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -67.28 -38.76 85.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.276 -179.143 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -59.61 -39.78 85.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.923 -178.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.567 ' OD1' ' NZ ' ' A' ' 73' ' ' LYS . 42.7 t0 -64.18 -50.08 69.55 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.491 -0.483 . . . . 0.0 109.818 178.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.682 HG22 HD22 ' A' ' 74' ' ' LEU . 90.4 mt -57.88 -42.63 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.149 -179.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.539 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 42.0 mt -56.87 -42.81 80.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.912 -179.549 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -63.94 -50.4 68.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.729 -179.057 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.567 ' NZ ' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -59.0 -50.14 75.23 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.455 -0.498 . . . . 0.0 109.698 179.431 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.682 HD22 HG22 ' A' ' 70' ' ' ILE . 5.7 mp -59.18 -38.12 79.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.408 179.645 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.539 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 69.6 m-20 -55.36 -46.67 76.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.543 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.5 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 86.4 mt-10 -68.53 -39.96 80.96 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 81' ' ' ASP . 81.5 mt-30 -68.54 -40.8 80.56 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.73 179.248 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.23 -43.01 70.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.958 179.54 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -68.89 -35.98 77.52 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 76' ' ' GLU . 28.3 mtmm -84.85 -6.18 59.34 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.144 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' GLN . 65.1 t0 . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 117.859 -1.067 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.49 -4.12 14.33 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.778 2.319 . . . . 0.0 112.287 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.622 ' HG ' ' H ' ' A' ' 5' ' ' SER . 17.0 tp 63.78 -94.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.784 -179.764 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.721 ' O ' ' N ' ' A' ' 6' ' ' MET . . . 65.66 35.19 90.76 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.715 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.622 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 37.96 17.24 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.121 0.486 . . . . 0.0 109.85 -179.107 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.721 ' N ' ' O ' ' A' ' 4' ' ' GLY . 52.0 ttp -90.35 122.89 33.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.948 -179.611 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.537 ' OD1' ' O ' ' A' ' 6' ' ' MET . 1.1 m120 166.34 -176.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.324 0.583 . . . . 0.0 111.386 179.721 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -80.85 171.76 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.989 179.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -77.43 140.6 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.0 p -85.04 167.23 16.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -53.64 -41.01 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.077 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.59 -45.95 77.57 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.012 0.434 . . . . 0.0 110.046 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.05 -40.34 94.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 0.0 109.62 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.554 ' CZ3' HD22 ' A' ' 17' ' ' LEU . 6.3 t-105 -64.2 -47.07 81.17 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.281 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -54.42 -39.49 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.331 0.586 . . . . 0.0 110.125 179.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -64.32 -42.59 96.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 17.9 tp -60.71 -39.56 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.868 179.395 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 29.4 mttt -59.53 -45.14 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.08 179.751 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -59.2 -42.61 91.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.697 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.74 -43.51 98.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.227 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE2' HD21 ' A' ' 74' ' ' LEU . 3.3 m-30 -63.18 -46.87 85.06 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.112 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.67 HG23 HD22 ' A' ' 45' ' ' ASN . 97.2 mt -58.76 -48.3 86.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.497 178.346 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.8 t -56.41 -43.69 79.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.29 92.93 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.443 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 19.4 mm -71.08 -39.41 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.902 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -80.67 -24.69 38.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.983 179.493 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 27' ' ' GLU . 8.2 tm-20 -71.42 -38.65 71.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.345 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 30' ' ' GLN . 48.2 p30 -88.9 159.84 17.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.153 0.501 . . . . 0.0 111.377 -179.519 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 31' ' ' LYS . 86.5 tt0 -62.36 -30.23 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.542 179.439 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.482 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 87.9 mt-30 -55.81 -3.94 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.177 -179.671 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 34' ' ' VAL . 58.4 pttt -56.94 -29.56 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.978 0.418 . . . . 0.0 109.984 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -57.58 -38.75 75.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' CD1' HD21 ' A' ' 79' ' ' ASN . 66.8 mt -56.59 -46.5 80.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.744 -178.766 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.825 ' O ' HG22 ' A' ' 38' ' ' THR . 3.9 p -73.71 -37.23 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.071 -179.426 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 39' ' ' ASN . . . -56.76 -42.94 80.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.628 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -60.55 -47.26 86.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.036 178.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.671 HD22 ' CD ' ' A' ' 46' ' ' GLN . 8.4 tt -58.59 -46.69 86.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.288 179.63 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 34' ' ' VAL . 2.8 t -90.67 19.67 5.24 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.28 179.387 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 38' ' ' THR . 1.9 m120 84.81 -76.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.65 ' O ' ' OG ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -174.48 60.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.25 0.548 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' OD1' ' OG1' ' A' ' 38' ' ' THR . 3.5 m-20 -90.93 148.47 38.21 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.169 179.486 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -64.12 -80.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.444 2.096 . . . . 0.0 111.403 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.785 ' O ' ' N ' ' A' ' 45' ' ' ASN . 56.7 mt -94.07 -80.71 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.477 179.283 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.543 ' C ' ' O ' ' A' ' 43' ' ' ILE . 1.6 ttt 20.58 -74.89 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.671 0.607 . . . . 0.0 110.986 -179.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.785 ' N ' ' O ' ' A' ' 43' ' ' ILE . 94.0 m-20 64.33 46.58 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.026 179.828 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.671 ' CD ' HD22 ' A' ' 37' ' ' LEU . 52.8 mt-30 67.14 39.54 3.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.129 179.431 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 46' ' ' GLN . 9.4 mt -37.93 -55.7 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.41 -57.4 12.92 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.197 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.5 mp -67.33 -40.42 85.93 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.433 -179.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.1 tt -58.32 -43.05 88.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.671 -179.551 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.479 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 30.2 m170 -58.23 -49.75 75.97 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.312 -179.878 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.33 -47.85 84.0 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.446 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -55.79 -56.42 20.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.909 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 18' ' ' LYS . 25.3 tp -55.95 -50.87 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.467 -179.306 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.092 -178.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -62.54 -32.79 73.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.248 0.547 . . . . 0.0 110.68 -179.613 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -111.03 18.09 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.972 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 5.8 ptm180 -52.08 -32.38 34.59 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.034 0.445 . . . . 0.0 110.347 179.302 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.691 ' OD1' ' N ' ' A' ' 60' ' ' MET . 39.4 p30 -54.44 -26.36 30.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.241 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.743 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 11.4 ptp -54.36 -37.46 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.279 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 14.5 p -66.47 -29.07 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.588 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -73.19 -24.35 60.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.952 179.438 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -80.19 -53.44 6.67 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.575 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.743 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -95.56 -25.86 16.01 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 119.561 -0.856 . . . . 0.0 111.835 -179.77 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 18.0 tttp 55.56 -2.51 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.183 0.516 . . . . 0.0 110.072 -179.29 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.627 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.4 p -82.16 166.17 19.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.161 0.505 . . . . 0.0 111.918 -179.264 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -104.47 -72.25 0.71 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.856 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.81 -37.97 86.4 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.544 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 98.0 m-20 -62.0 -43.53 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.727 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.627 ' CD1' ' O ' ' A' ' 66' ' ' SER . 27.2 mt -60.44 -43.25 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.32 -40.9 71.71 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.791 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -59.72 -43.02 94.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.413 0.625 . . . . 0.0 109.768 179.549 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -61.18 -51.49 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.59 179.749 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD21 ' CE2' ' A' ' 21' ' ' PHE . 7.9 mp -55.75 -38.72 70.2 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.77 -46.36 74.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.404 -0.518 . . . . 0.0 109.911 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -67.82 -40.16 83.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.3 179.448 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 81' ' ' ASP . 84.6 mm-40 -70.16 -40.68 74.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 0.0 110.123 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.548 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 1.7 t-105 -55.92 -42.68 76.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.744 179.551 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.516 HD21 ' CD1' ' A' ' 33' ' ' LEU . 2.2 m120 -71.45 -34.41 70.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.483 179.443 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.502 ' C ' ' OD1' ' A' ' 81' ' ' ASP . 4.9 ttmm -84.36 -12.52 54.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.548 ' OXT' ' O ' ' A' ' 78' ' ' TRP . 9.5 m-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.446 -179.843 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -62.78 148.22 93.69 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.895 2.397 . . . . 0.0 112.425 -179.675 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 3' ' ' LEU . 1.4 pt? -153.06 -23.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.249 179.664 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.94 15.47 10.0 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.556 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.53 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER 41.84 33.43 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.541 0.21 . . . . 0.0 111.347 179.673 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 14.4 ptp -79.75 122.24 26.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.051 0.453 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 6' ' ' MET . 2.7 p30 164.31 -172.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.152 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -80.09 169.79 17.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.713 -179.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -75.99 144.71 40.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -82.0 160.17 23.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.793 -179.19 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -54.18 -43.34 70.59 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 -179.011 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.483 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 86.0 m-20 -67.24 -44.81 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.782 179.68 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.692 . . . . 0.0 109.303 179.198 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' CZ3' HD23 ' A' ' 17' ' ' LEU . 6.7 t-105 -62.23 -46.43 88.89 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.189 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -54.98 -40.7 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 8.1 mp0 -63.17 -44.06 96.53 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.206 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.827 HD11 ' CE1' ' A' ' 21' ' ' PHE . 55.5 tp -58.78 -39.29 80.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.001 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 22' ' ' ILE . 29.5 mttt -59.17 -45.54 90.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.279 179.618 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -59.83 -42.35 93.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.497 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -60.75 -43.06 98.46 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.8 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.827 ' CE1' HD11 ' A' ' 17' ' ' LEU . 6.4 m-30 -66.53 -43.91 83.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.308 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.71 HG23 ' OD1' ' A' ' 45' ' ' ASN . 96.5 mt -57.71 -50.34 77.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.17 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -57.89 -42.72 85.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.49 -34.48 89.55 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.81 -42.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.039 -179.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -75.9 -28.15 57.97 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.368 0.604 . . . . 0.0 109.583 178.877 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 22.9 tp10 -74.09 -25.25 59.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.097 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -97.84 160.44 14.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 0.0 111.548 -179.419 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -60.15 -30.65 69.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.356 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -55.49 -8.99 0.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.257 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 10.7 pttm -55.5 -39.89 71.05 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.379 0.609 . . . . 0.0 109.599 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 87.9 m-20 -58.3 -44.35 88.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.222 179.56 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.69 -48.05 78.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.642 -179.258 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.662 HG21 ' HA ' ' A' ' 45' ' ' ASN . 2.7 p -65.55 -34.21 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.035 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.26 79.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.353 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 39' ' ' ASN . 17.8 mttt -67.23 -46.21 74.47 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.32 179.518 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.97 -42.75 63.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.401 -179.586 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.2 p -81.45 -1.45 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.815 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.681 ' O ' ' CB ' ' A' ' 40' ' ' SER . 2.8 t-20 51.65 35.35 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.661 -179.22 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.681 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 51.6 p 127.68 106.76 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.299 0.999 . . . . 0.0 109.917 -179.531 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.641 ' CG ' ' O ' ' A' ' 40' ' ' SER . 20.0 m-20 140.89 70.51 0.0 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 O-C-N 123.554 0.534 . . . . 0.0 109.576 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.626 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 12.2 Cg_exo -64.23 -56.66 0.42 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.918 1.746 . . . . 0.0 112.211 -179.661 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.56 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.5 mt -57.51 -42.43 80.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.317 -178.844 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttt -49.58 -34.82 18.77 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.593 -178.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.71 ' OD1' HG23 ' A' ' 22' ' ' ILE . 1.5 m120 58.42 22.83 9.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.523 179.692 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.646 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 62.05 41.72 10.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.146 0.498 . . . . 0.0 111.272 -179.735 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD21 HD11 ' A' ' 22' ' ' ILE . 4.5 mt -38.19 -58.52 0.97 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.881 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -56.67 -51.21 69.64 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.218 -177.871 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 49' ' ' LEU . 10.0 mp -68.99 -33.49 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.493 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -57.86 -46.34 84.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.858 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -59.12 -45.03 91.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.96 -53.24 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.919 179.721 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -60.44 -51.58 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.004 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.14 -52.74 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.743 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -55.51 -41.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.439 -179.388 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -61.41 -32.93 72.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.339 -179.627 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 60' ' ' MET . 96.8 m-70 -113.27 19.58 16.93 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.578 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 10.3 ptm180 -53.08 -34.43 56.55 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.379 0.609 . . . . 0.0 110.41 179.007 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -55.91 -34.56 65.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.266 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.775 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptt? -55.58 -28.25 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.393 -178.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.0 p -61.81 -28.99 69.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.697 0.284 . . . . 0.0 111.764 -178.627 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.38 -12.48 60.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.067 -179.27 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 45.7 mtpt -86.7 16.24 4.93 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.775 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.42 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.018 0.437 . . . . 0.0 110.064 178.001 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mttm 51.69 2.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.329 179.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.637 ' H ' ' C ' ' A' ' 64' ' ' TRP . 13.1 p -88.59 163.6 15.77 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.702 178.584 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -96.1 -63.38 1.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -178.064 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.06 -35.17 79.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.792 -177.793 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 77.5 m-20 -65.69 -45.68 81.91 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.989 179.836 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 66' ' ' SER . 55.5 mt -60.69 -39.77 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.758 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.491 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 78.4 mt -57.8 -39.67 78.1 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.646 179.495 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -61.24 -46.49 90.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.432 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.9 mmtt -61.55 -53.62 53.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.556 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 6.4 mp -57.79 -36.99 72.93 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.366 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 71' ' ' LEU . 2.1 m120 -58.92 -43.42 91.12 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.173 -0.611 . . . . 0.0 109.778 179.742 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -63.72 -39.78 95.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.611 ' O ' ' N ' ' A' ' 81' ' ' ASP . 73.8 mt-30 -73.89 -36.17 64.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.29 0.567 . . . . 0.0 110.304 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.52 ' CZ2' ' OE1' ' A' ' 46' ' ' GLN . 3.9 t-105 -54.38 -45.65 72.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.692 179.823 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -74.75 -34.4 62.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.411 -179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -91.22 -73.25 0.54 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 77' ' ' GLN . 28.5 t70 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.865 179.692 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -64.95 143.86 80.7 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 123.157 2.571 . . . . 0.0 112.827 -179.704 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.7 mt -140.23 -115.17 0.14 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.977 0.417 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.76 -133.93 34.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 p -85.59 4.85 34.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.563 0.22 . . . . 0.0 111.234 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 54.9 mtt -71.35 146.09 49.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.171 0.51 . . . . 0.0 112.23 -178.318 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 6' ' ' MET . 2.1 t-20 87.34 143.52 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.877 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.19 164.69 18.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.565 -179.148 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -75.72 155.61 35.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -86.19 158.53 19.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.536 -179.623 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -52.86 -38.64 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.774 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.9 m-20 -65.5 -49.7 68.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.326 0.584 . . . . 0.0 110.491 179.853 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.14 -35.39 80.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.034 179.006 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.462 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 6.8 t-105 -63.56 -45.66 89.49 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -56.35 -38.44 71.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.48 0.657 . . . . 0.0 109.812 179.36 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.731 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.86 -42.07 99.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.07 -38.13 85.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.813 178.829 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 31.0 mttt -61.3 -44.95 96.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 179.596 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.71 -41.87 91.8 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.038 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -63.14 -41.35 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.165 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -66.96 -44.17 81.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.667 HG23 ' CG ' ' A' ' 45' ' ' ASN . 93.3 mt -57.65 -51.89 64.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.568 ' HA ' HD23 ' A' ' 26' ' ' LEU . 50.1 m -53.79 -34.76 60.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.071 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.4 -35.69 82.56 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.3 mm -73.31 -32.68 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.21 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.862 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -85.39 -28.1 25.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.76 179.793 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 48.3 tp10 -75.16 -33.39 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.692 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -97.42 164.85 12.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.249 179.355 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -61.06 -19.99 62.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.297 179.575 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -47.99 -16.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.268 -178.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' NZ ' ' OD1' ' A' ' 32' ' ' ASP . 9.9 pttm -58.88 -33.53 70.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.634 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 94.8 m-20 -64.72 -41.0 96.3 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.103 179.196 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.46 HD13 ' OD1' ' A' ' 79' ' ' ASN . 54.0 mt -60.39 -36.44 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.501 179.598 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -62.34 -49.51 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.018 -179.88 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.605 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -62.76 -38.84 92.15 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.014 -179.693 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -63.62 -46.38 85.99 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.447 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 37' ' ' LEU . 9.6 tt -63.35 -39.03 93.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.786 179.429 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.605 ' O ' ' O ' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -95.55 170.1 9.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.595 179.872 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 39' ' ' ASN . 30.9 p30 -95.25 -157.21 0.56 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.305 -179.424 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.568 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 1.4 m -41.3 97.3 0.01 OUTLIER 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.947 -179.733 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.568 ' CG ' ' O ' ' A' ' 40' ' ' SER . 11.0 m-20 -175.86 139.0 0.53 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.513 179.896 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.453 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 58.5 Cg_endo -74.34 -82.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.088 1.859 . . . . 0.0 111.513 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.648 ' C ' ' H ' ' A' ' 45' ' ' ASN . 38.7 mm -92.87 -85.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.9 179.282 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.512 ' HE1' ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 62.97 -33.53 0.11 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.771 0.32 . . . . 0.0 110.85 179.332 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.667 ' CG ' HG23 ' A' ' 22' ' ' ILE . 1.3 m-80 50.14 16.4 0.25 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.672 179.874 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.512 ' HA ' ' HE1' ' A' ' 44' ' ' MET . 19.0 mt-30 60.53 45.02 11.11 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.333 178.874 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 1.8 mt -43.19 -53.84 4.83 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.93 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.76 -54.78 42.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.27 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.602 ' H ' HD12 ' A' ' 49' ' ' LEU . 4.7 mp -68.28 -40.69 81.75 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.787 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 50' ' ' LEU . 4.4 tt -59.64 -44.79 93.37 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 18.7 m170 -58.19 -50.68 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.628 -179.444 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -61.36 -45.37 94.68 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.955 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.479 ' CZ3' ' HG ' ' A' ' 74' ' ' LEU . 51.2 t90 -56.77 -55.26 36.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.592 0.711 . . . . 0.0 109.73 179.36 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.47 -49.56 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.525 -179.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -56.3 -42.04 76.92 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.98 -179.815 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 57' ' ' HIS . 23.7 ttp-105 -62.12 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.024 -179.352 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.515 ' O ' ' SD ' ' A' ' 60' ' ' MET . 34.1 m-70 -114.89 19.18 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.996 -178.482 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' CB ' ' CZ2' ' A' ' 14' ' ' TRP . 15.1 ptm180 -53.46 -34.43 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 111.493 179.839 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.43 -32.04 64.49 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.587 -179.077 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.716 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 8.6 ptt? -57.84 -29.99 65.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 -179.365 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 p -60.19 -30.0 69.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -178.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -75.67 -13.91 60.34 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.074 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -85.1 -59.68 2.26 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.716 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -79.71 -37.74 34.96 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.647 -179.381 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.7 tttm 60.39 -16.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.631 ' H ' ' C ' ' A' ' 64' ' ' TRP . 11.1 p -92.66 129.97 38.43 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.224 179.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.783 -178.55 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.34 -38.95 91.49 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -177.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 84.2 m-20 -64.33 -44.6 91.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.298 -179.088 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 64' ' ' TRP . 56.4 mt -60.0 -44.97 95.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.627 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' O ' ' CG ' ' A' ' 75' ' ' ASN . 75.5 mt -55.18 -40.22 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.4 -179.767 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.82 -44.55 93.96 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.724 179.148 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.579 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 3.1 mptp? -65.55 -49.44 68.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.791 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.479 ' HG ' ' CZ3' ' A' ' 53' ' ' TRP . 6.7 mp -58.81 -36.19 74.09 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.783 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.473 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 68.2 m-20 -56.57 -47.86 78.62 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.328 179.004 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -70.35 -41.2 73.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.368 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.579 ' OE1' ' O ' ' A' ' 73' ' ' LYS . 3.7 mp0 -70.11 -44.29 69.31 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.992 -179.45 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 2.0 t-105 -54.97 -42.4 72.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.351 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.46 ' OD1' HD13 ' A' ' 33' ' ' LEU . 79.3 m-20 -68.82 -37.16 79.01 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.017 0.437 . . . . 0.0 110.23 179.17 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -81.88 -7.27 59.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.321 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' GLN . 20.8 t70 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.393 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -60.74 146.61 97.02 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.64 2.227 . . . . 0.0 112.101 -179.86 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.05 -10.69 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.246 0.546 . . . . 0.0 109.599 179.361 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.53 21.37 72.57 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 7' ' ' ASN . 78.1 p 49.93 21.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.97 12.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.02 -179.242 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 5' ' ' SER . 20.9 p-10 -59.34 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.005 179.752 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -91.93 158.91 16.02 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 179.404 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -77.11 149.08 35.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.909 0.385 . . . . 0.0 110.948 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.8 p -83.1 160.86 21.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.659 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -52.95 -43.16 66.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -178.724 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.74 -42.94 81.03 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.814 -179.733 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.6 -40.3 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.412 0.625 . . . . 0.0 109.578 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.473 ' CZ2' ' CB ' ' A' ' 58' ' ' ARG . 5.1 t-105 -63.15 -46.49 86.96 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.511 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 2.0 m120 -56.31 -38.43 71.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 179.505 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -63.64 -43.72 95.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 21' ' ' PHE . 57.0 tp -62.0 -38.51 88.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.912 179.684 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 26.5 mttt -59.91 -45.36 92.79 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.622 179.787 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' NE2' HD12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -60.66 -41.99 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.661 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.46 -43.82 96.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.8 m-30 -64.46 -46.89 81.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.931 179.325 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.538 HD12 ' NE2' ' A' ' 19' ' ' GLN . 61.8 mt -57.77 -46.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.29 178.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -55.75 -44.95 78.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.294 179.554 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.99 86.01 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.461 ' CG2' ' OD1' ' A' ' 45' ' ' ASN . 5.3 mm -72.58 -35.01 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.433 -179.41 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.27 -25.49 23.93 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.103 0.478 . . . . 0.0 111.15 -179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -72.85 -37.34 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.486 179.135 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.496 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 48.4 p30 -84.79 157.54 20.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.235 0.541 . . . . 0.0 111.618 -179.413 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.92 -23.76 67.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.679 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.428 HE22 ' HB3' ' A' ' 75' ' ' ASN . 24.4 mt-30 -61.01 -11.88 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.377 -178.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 1.028 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -52.21 -23.96 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.808 -179.319 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 51.2 t0 -57.45 -38.8 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.401 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' H ' HD12 ' A' ' 33' ' ' LEU . 4.9 mp -60.16 -39.37 86.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.376 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.028 HG12 ' O ' ' A' ' 31' ' ' LYS . 3.8 p -66.45 -33.95 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.987 -179.694 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.67 90.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.086 0.469 . . . . 0.0 109.844 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -52.29 -43.43 64.45 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.425 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.647 HD13 HE21 ' A' ' 46' ' ' GLN . 3.9 tt -64.19 -55.44 21.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.697 179.914 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.647 ' O ' ' O ' ' A' ' 39' ' ' ASN . 35.2 m -125.24 118.85 26.9 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.346 -179.451 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.647 ' O ' ' O ' ' A' ' 38' ' ' THR . 81.4 m-20 11.62 -136.89 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.056 179.294 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.516 ' O ' ' C ' ' A' ' 41' ' ' ASP . 46.9 m -85.45 15.41 4.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.813 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' A' ' 45' ' ' ASN . 13.1 t0 -30.4 95.62 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.59 -179.756 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.479 ' N ' ' O ' ' A' ' 40' ' ' SER . 61.2 Cg_endo -82.9 -58.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.09 1.86 . . . . 0.0 111.475 179.223 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.588 ' C ' HD22 ' A' ' 45' ' ' ASN . 14.2 pt -107.18 -17.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.068 -179.783 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -62.97 -31.65 72.81 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.509 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.645 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 4.4 m-80 30.22 38.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.21 179.434 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.647 HE21 HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER 56.96 55.11 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 179.324 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 68.6 mt -42.25 -50.95 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.383 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -59.4 -57.59 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.163 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.99 -40.99 95.77 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.367 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.4 tt -58.69 -43.69 90.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 -178.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 26.1 m170 -60.63 -47.61 85.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.316 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -58.77 -48.15 82.22 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.783 179.784 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -56.94 -57.46 12.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' ARG . 10.3 tp -57.64 -51.8 68.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.14 -178.606 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -54.28 -43.58 71.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -178.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -64.74 -31.44 72.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 179.439 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.409 ' HB3' ' SD ' ' A' ' 60' ' ' MET . 84.4 m-70 -107.55 15.53 24.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.324 -179.604 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.673 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -55.4 -34.13 64.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 110.914 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.03 -32.67 66.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.397 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.734 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 8.7 ptm -58.51 -29.58 66.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.33 -179.482 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.673 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 19.3 p -62.35 -27.43 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.757 -178.179 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -71.88 -12.88 61.48 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.472 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.63 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 19.2 mmtt -84.88 19.15 2.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.766 0.317 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.734 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -166.84 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 111.117 178.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 tttm 59.78 -1.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.516 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 64' ' ' TRP . 70.6 p -85.88 -149.02 0.13 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.24 178.549 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -139.79 -61.43 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.358 -0.537 . . . . 0.0 112.152 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.8 -36.11 78.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.922 -178.033 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 67.4 m-20 -63.02 -49.47 74.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 -179.363 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.764 HG22 HD13 ' A' ' 74' ' ' LEU . 30.0 mt -62.33 -43.46 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.555 -179.322 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 71' ' ' LEU . 92.2 mt -53.83 -41.26 67.18 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.807 179.344 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -58.93 -44.74 91.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.182 179.471 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.536 ' HA ' ' HZ3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -64.9 -51.41 62.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.747 -179.514 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.764 HD13 HG22 ' A' ' 70' ' ' ILE . 7.6 mp -59.21 -36.44 75.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.428 ' HB3' HE22 ' A' ' 30' ' ' GLN . 88.1 m-20 -56.54 -50.57 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.294 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -64.36 -38.55 91.42 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.919 179.646 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.602 ' O ' ' N ' ' A' ' 81' ' ' ASP . 9.0 tp-100 -70.42 -41.85 72.4 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.391 -179.561 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -54.62 -39.62 68.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -68.27 -40.54 81.82 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.402 178.8 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 81' ' ' ASP . 10.5 mtmt -89.39 -1.05 57.92 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' A' ' 77' ' ' GLN . 18.1 t70 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.408 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.675 ' O ' ' N ' ' A' ' 4' ' ' GLY . 29.8 Cg_exo -55.93 145.74 72.01 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.042 2.495 . . . . 0.0 112.118 -179.834 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.1 tp 56.02 -73.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 104.67 176.82 24.89 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.998 179.358 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 m -81.92 25.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.045 0.45 . . . . 0.0 110.299 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.646 ' O ' ' O ' ' A' ' 7' ' ' ASN . 60.4 mtt -50.72 -40.85 55.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.974 179.61 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' O ' ' A' ' 6' ' ' MET . 9.4 t-20 36.54 108.1 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.983 178.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 9.1 mtpm? -68.43 172.85 5.5 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.713 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -77.71 140.2 39.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 112.036 -178.61 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.3 p -86.91 162.64 17.6 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.451 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -55.16 -41.76 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.477 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 75.9 m-20 -63.01 -44.73 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.276 179.62 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -67.0 -38.58 86.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.406 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.499 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 2.3 t-105 -60.91 -47.51 86.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.69 179.529 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -54.66 -40.36 68.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.495 179.522 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.671 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -65.2 -44.55 88.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.732 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.4 tp -60.03 -41.17 91.64 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 25.8 mttt -57.44 -46.49 83.52 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.458 179.535 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -58.74 -41.14 85.77 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.67 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.72 -45.71 88.99 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 109.898 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -64.92 -46.74 80.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.179 -179.876 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 18' ' ' LYS . 80.7 mt -58.8 -46.01 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.606 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -56.76 -45.53 82.01 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.038 179.62 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.97 81.0 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.727 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 31.9 mm -70.71 -40.71 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 121.344 -0.142 . . . . 0.0 111.295 -179.769 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.858 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -82.51 -30.15 30.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 109.945 179.548 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.58 ' OE1' ' OD1' ' A' ' 28' ' ' ASN . 8.2 tm-20 -74.03 -45.48 49.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.632 179.522 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.58 ' OD1' ' OE1' ' A' ' 27' ' ' GLU . 88.6 m-20 -86.88 160.28 18.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.582 0.706 . . . . 0.0 111.808 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 31' ' ' LYS . 81.6 tt0 -59.26 -26.08 64.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.334 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -49.44 -8.71 0.03 OUTLIER 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 109.808 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.861 ' O ' HG12 ' A' ' 34' ' ' VAL . 78.0 tttt -55.99 -39.41 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.313 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.41 -32.55 71.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.149 0.5 . . . . 0.0 110.196 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.1 mm? -67.93 -43.12 79.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.793 -179.517 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 31' ' ' LYS . 7.6 p -62.12 -33.27 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.632 179.745 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.5 73.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.389 178.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -60.52 -38.52 84.65 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.111 178.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.747 HD22 ' OE1' ' A' ' 46' ' ' GLN . 7.7 tt -56.37 -36.98 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.417 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 m -124.95 -85.85 0.63 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.091 0.472 . . . . 0.0 110.179 179.293 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -178.38 -121.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.382 179.56 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -73.62 108.32 6.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.196 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.687 ' OD2' ' N ' ' A' ' 45' ' ' ASN . 7.1 t0 -152.4 113.23 2.83 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.005 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.449 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 78.6 Cg_endo -87.06 -66.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.711 2.274 . . . . 0.0 112.215 178.194 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.449 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 72.2 mt -108.36 -31.08 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.886 -179.153 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.504 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 26.7 ttt -50.43 -37.43 37.96 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.322 -178.531 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.687 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 1.5 m120 45.13 43.62 7.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.295 179.4 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.747 ' OE1' HD22 ' A' ' 37' ' ' LEU . 14.9 pt20 51.12 53.52 12.83 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.138 0.494 . . . . 0.0 110.886 -179.334 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 4.7 mt -46.06 -52.15 12.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.024 -179.668 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -57.25 -53.89 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.56 -178.406 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB2' HE21 ' A' ' 46' ' ' GLN . 22.7 mt -65.15 -40.55 94.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.037 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 50' ' ' LEU . 5.1 tt -58.2 -45.1 88.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.866 -178.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 17.8 m170 -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.777 179.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -61.17 -49.99 74.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -57.98 -55.79 30.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.516 0.674 . . . . 0.0 110.966 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' ARG . 15.4 tp -54.96 -50.38 69.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.118 -178.509 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.77 -43.89 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.833 -179.261 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.77 -31.9 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.583 ' O ' ' CG ' ' A' ' 60' ' ' MET . 97.8 m-70 -109.43 14.39 23.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.648 -178.689 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.551 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.8 ptm180 -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.672 0.272 . . . . 0.0 111.283 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 61.4 t0 -60.03 -31.7 70.2 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.5 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.717 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.0 ppp? -56.51 -26.79 55.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 8.0 p -62.36 -28.28 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.205 -179.521 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 96.4 mt-10 -75.16 -13.07 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.517 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 28.2 mmtp -85.63 24.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.021 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.717 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -171.56 -34.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.039 177.349 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.5 mttm 54.54 6.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.304 0.573 . . . . 0.0 110.038 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.605 ' O ' HD12 ' A' ' 70' ' ' ILE . 24.5 p -91.42 176.8 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.784 179.056 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -111.18 -63.34 1.42 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.96 -0.696 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.56 -37.56 81.7 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.754 -178.467 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.457 ' HB3' ' OG ' ' A' ' 66' ' ' SER . 15.8 t0 -63.02 -45.28 93.11 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 66' ' ' SER . 89.8 mt -59.6 -45.76 93.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.772 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.71 -40.76 66.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.203 0.525 . . . . 0.0 109.973 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -61.54 -46.67 88.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 12.8 mmtt -59.09 -52.55 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.655 -179.362 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 70' ' ' ILE . 6.7 mp -57.64 -39.0 76.01 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.866 -179.484 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.529 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 3.0 m120 -56.3 -47.25 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.188 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.57 -39.94 95.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.467 . . . . 0.0 110.523 179.152 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 81' ' ' ASP . 3.0 mm-40 -74.13 -36.32 64.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.366 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.509 ' HZ2' HG23 ' A' ' 34' ' ' VAL . 4.1 t-105 -56.31 -38.64 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.231 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.569 ' N ' HD22 ' A' ' 79' ' ' ASN . 0.9 OUTLIER -60.12 -40.43 89.68 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.0 -179.661 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -94.39 -7.08 42.63 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.778 179.573 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' OD1' HD11 ' A' ' 37' ' ' LEU . 25.1 t70 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.77 -75.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 122.937 2.425 . . . . 0.0 111.502 179.863 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 3' ' ' LEU . 37.8 mt -96.1 142.6 28.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.78 179.439 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.9 -158.61 7.89 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.609 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -68.79 -2.97 10.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.205 0.526 . . . . 0.0 109.622 179.604 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 6' ' ' MET . 5.6 mmt -60.02 -33.4 71.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.601 179.577 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -100.18 154.57 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -72.2 -177.24 2.04 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.15 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.7 145.15 29.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.247 0.546 . . . . 0.0 111.674 -179.774 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.4 p -85.64 162.62 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.602 179.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.31 -38.8 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.35 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.599 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 93.9 m-20 -64.53 -46.54 82.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.638 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 71.3 mm-40 -65.28 -38.32 89.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.824 178.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.426 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 3.4 t-105 -62.76 -47.87 81.66 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.461 -179.534 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.593 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 86.9 m-20 -55.54 -41.63 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.599 ' OE1' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -64.89 -42.07 95.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.27 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.86 -38.15 78.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.514 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 28.6 mttt -60.03 -44.1 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.275 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.593 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 1.5 mp0 -61.36 -43.16 99.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.164 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -60.69 -38.57 85.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -70.47 -50.53 37.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.117 0.484 . . . . 0.0 110.11 179.452 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.55 HD12 HE21 ' A' ' 19' ' ' GLN . 56.2 mt -57.53 -43.19 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.025 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.6 -43.07 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.413 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.06 -30.98 74.98 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.079 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 25' ' ' ILE . 40.6 mm -71.99 -47.95 52.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.845 0.355 . . . . 0.0 110.128 179.4 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.851 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -73.88 -30.13 62.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.221 179.37 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 5.2 tm-20 -72.67 -38.81 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.586 179.837 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -86.16 150.05 24.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' LYS . 54.9 tp10 -54.54 -29.64 51.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.265 179.503 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.07 -7.85 0.03 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.625 ' O ' HG12 ' A' ' 34' ' ' VAL . 14.9 pttm -53.68 -37.5 63.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.139 -0.625 . . . . 0.0 110.178 -179.492 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.36 -32.93 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.22 0.533 . . . . 0.0 109.816 178.195 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -61.86 -47.65 84.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.619 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.856 HG23 ' NE2' ' A' ' 46' ' ' GLN . 9.9 p -67.94 -28.17 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.968 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.707 ' O ' ' N ' ' A' ' 39' ' ' ASN . . . -61.62 -41.07 96.94 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.212 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.7 -43.76 97.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.774 179.228 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.473 HD22 ' NE2' ' A' ' 46' ' ' GLN . 8.7 tt -64.22 -39.9 94.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.049 179.472 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.555 HG22 ' OD2' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -105.95 11.67 31.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.512 -179.65 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.707 ' N ' ' O ' ' A' ' 35' ' ' ALA . 0.3 OUTLIER 58.44 -97.56 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.369 -179.125 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 34.1 t -110.15 125.75 53.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.182 179.816 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.555 ' OD2' HG22 ' A' ' 38' ' ' THR . 6.5 m-20 -172.54 134.07 0.74 Allowed Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.411 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 58.8 Cg_endo -74.97 -87.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.386 2.058 . . . . 0.0 112.455 179.447 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' A' ' 44' ' ' MET . 67.2 mt -97.55 -27.87 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.761 179.765 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -37.24 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.271 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.584 ' HB3' HG21 ' A' ' 34' ' ' VAL . 25.3 m120 60.48 48.54 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.464 178.274 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.856 ' NE2' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER 60.52 45.35 10.76 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.594 0.559 . . . . 0.0 112.273 179.072 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 83.4 mt -48.81 -48.35 41.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.05 179.526 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.76 -52.68 64.68 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.076 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 49' ' ' LEU . 93.0 mt -65.48 -40.31 92.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.963 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -59.22 -43.04 92.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.369 -179.012 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 21.4 m170 -58.76 -49.44 77.64 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.287 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -61.3 -47.8 84.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.026 -179.694 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -55.48 -54.17 47.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.898 0.856 . . . . 0.0 110.081 179.42 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.2 tp -55.39 -48.38 74.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.778 -179.031 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -56.72 -40.94 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.052 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 56' ' ' ARG . 43.6 ttt85 -63.59 -29.89 71.08 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' MET . 93.2 m-70 -107.4 17.63 22.55 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.309 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.632 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 ptm180 -55.93 -35.05 66.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.476 -179.663 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -53.74 -28.26 33.25 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.739 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 10.6 ptm -54.65 -34.7 62.57 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.504 179.268 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.632 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.8 p -68.2 -31.42 70.94 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.798 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.15 -28.08 65.07 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -84.06 -82.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.342 179.097 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.727 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.1 OUTLIER -91.86 52.95 2.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.12 179.24 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 61' ' ' CYS . 1.7 pttm -45.97 9.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -179.26 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.724 ' O ' HD12 ' A' ' 70' ' ' ILE . 3.1 p -75.55 165.24 25.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.099 0.476 . . . . 0.0 110.943 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 55.1 tttm -91.62 -68.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.431 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -62.83 -38.63 91.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' HB2' ' OG ' ' A' ' 66' ' ' SER . 52.9 m-20 -61.57 -45.12 95.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.156 -179.561 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 66' ' ' SER . 61.0 mt -61.02 -42.48 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.423 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 67' ' ' LYS . 22.0 mt -55.02 -39.48 69.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.954 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -62.09 -46.17 90.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.176 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.48 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 23.9 mmtm -59.64 -52.95 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.682 -179.479 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.618 HD13 HG22 ' A' ' 70' ' ' ILE . 6.4 mp -54.49 -40.88 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.158 -179.273 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -55.14 -44.64 75.29 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.38 -42.02 93.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.838 0.352 . . . . 0.0 111.433 -179.5 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 81' ' ' ASP . 35.4 tt0 -73.27 -31.72 64.25 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.297 178.746 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -56.82 -41.48 77.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.34 -41.45 89.57 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.539 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.611 ' O ' ' OXT' ' A' ' 81' ' ' ASP . 48.4 tttp -61.38 -40.52 94.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.304 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.611 ' OXT' ' O ' ' A' ' 80' ' ' LYS . 1.8 t70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.101 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -59.83 148.3 88.91 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.526 2.151 . . . . 0.0 111.591 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.752 HD12 ' N ' ' A' ' 3' ' ' LEU . 3.1 mp -87.4 143.06 27.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.067 0.461 . . . . 0.0 111.244 -179.331 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 6' ' ' MET . . . -158.46 30.0 0.46 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.493 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 14.1 t 38.6 28.47 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.912 0.386 . . . . 0.0 110.417 -179.814 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 4' ' ' GLY . 9.1 ptt? -106.99 19.52 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.858 -179.634 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -95.8 -153.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 0.0 111.476 -179.114 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HD3' ' NH1' ' A' ' 58' ' ' ARG . 31.7 mttt -63.34 177.96 0.59 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.544 -179.903 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -80.64 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.385 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.7 p -84.94 161.78 19.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.704 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.592 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 90.3 m-20 -54.51 -43.4 71.84 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.729 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 86.7 m-20 -62.7 -48.03 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 179.686 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.13 -38.57 91.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.321 0.581 . . . . 0.0 109.924 179.288 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 18' ' ' LYS . 3.2 t-105 -61.43 -45.8 92.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.763 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 11' ' ' ASP . 80.6 m-20 -57.4 -41.07 79.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.33 -179.839 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.729 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -62.56 -42.65 99.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.843 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.638 HD11 ' CE1' ' A' ' 21' ' ' PHE . 49.3 tp -61.01 -38.41 85.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.028 179.25 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 19.1 mttm -60.23 -46.74 88.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.307 179.209 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.566 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -60.89 -43.23 98.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.829 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.92 -42.65 94.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.638 ' CE1' HD11 ' A' ' 17' ' ' LEU . 4.9 m-30 -68.15 -48.09 66.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.447 0.642 . . . . 0.0 110.254 179.606 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.586 HG23 ' CB ' ' A' ' 45' ' ' ASN . 87.9 mt -58.42 -50.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.555 -179.905 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 27' ' ' GLU . 16.9 m -56.16 -39.34 72.18 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.467 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.43 -31.61 81.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.0 mm -69.94 -35.54 64.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.855 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -90.4 -24.98 20.62 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.017 -179.785 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 23' ' ' SER . 71.6 mm-40 -77.29 -37.08 53.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.097 0.475 . . . . 0.0 109.827 178.112 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -90.85 165.02 13.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.825 179.731 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.11 -24.72 56.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.386 179.198 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.662 ' HA ' HD13 ' A' ' 33' ' ' LEU . 7.0 mp0 -49.67 -16.97 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -179.338 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 34' ' ' VAL . 31.2 pttt -55.77 -38.49 69.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.742 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 31' ' ' LYS . 71.2 m-20 -63.75 -37.81 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.551 179.433 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 30' ' ' GLN . 10.2 mp -61.33 -43.68 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -179.118 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.618 HG23 HE21 ' A' ' 46' ' ' GLN . 14.3 p -75.7 -26.84 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.31 91.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -57.53 -36.35 71.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.459 -179.667 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.553 HD13 ' OE1' ' A' ' 46' ' ' GLN . 8.8 tt -64.86 -37.61 88.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 0.0 110.416 179.775 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 34' ' ' VAL . 4.5 p -94.12 161.99 14.05 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.82 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -83.12 -89.42 0.09 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.996 0.427 . . . . 0.0 111.074 -179.382 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.0 t -98.6 -16.88 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.663 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.34 118.8 4.03 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.58 -65.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.363 2.042 . . . . 0.0 112.565 -178.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.787 ' O ' ' N ' ' A' ' 45' ' ' ASN . 95.4 mt -89.86 -79.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.407 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.478 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 14.3 tpt 42.02 -64.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 179.47 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.787 ' N ' ' O ' ' A' ' 43' ' ' ILE . 28.9 m120 66.36 17.87 10.77 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.618 HE21 HG23 ' A' ' 34' ' ' VAL . 46.9 mt-30 65.6 38.25 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.472 -179.487 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 26.1 mt -39.23 -53.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.344 -179.831 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -59.0 -59.36 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.341 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.16 -39.22 78.9 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 50' ' ' LEU . 3.0 tt -58.8 -43.42 90.55 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.566 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.711 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 16.6 m-70 -57.58 -47.47 82.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.806 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -59.84 -47.36 86.03 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.269 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -58.17 -56.11 26.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.689 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.69 -49.45 72.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.179 -178.427 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -58.66 -45.25 89.79 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.148 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 56' ' ' ARG . 12.5 ttm180 -65.08 -32.47 74.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.581 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -109.61 16.95 21.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.051 -179.344 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.66 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 7.8 ptm180 -51.68 -33.35 33.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.553 179.827 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -54.61 -34.33 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.587 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.699 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 2.8 ptt? -57.67 -30.15 65.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.274 -179.123 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 18.0 p -62.28 -28.41 69.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.927 -179.392 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -74.5 -12.7 60.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.518 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.524 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 2.6 mtmt -84.06 22.29 1.21 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.633 0.254 . . . . 0.0 111.218 -178.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.699 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -173.93 -48.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.068 178.319 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? 75.5 -18.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.8 p -88.36 141.67 28.35 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.558 179.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 59.1 tttm -62.14 -53.4 55.98 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.381 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.97 -38.46 86.03 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -177.349 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 97.4 m-20 -62.63 -50.08 72.65 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.803 -179.276 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.646 HG22 HD13 ' A' ' 74' ' ' LEU . 28.3 mt -56.72 -46.29 83.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.656 -179.238 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 71' ' ' LEU . 61.5 mt -57.78 -42.53 84.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.394 -178.713 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.557 ' O ' ' OE1' ' A' ' 76' ' ' GLU . 84.7 t60 -58.94 -45.09 91.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.998 0.428 . . . . 0.0 110.56 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 18.5 mmtt -63.14 -51.18 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.455 -179.777 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.646 HD13 HG22 ' A' ' 70' ' ' ILE . 7.2 mp -58.45 -37.99 76.57 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.841 179.773 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.556 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 7.4 m120 -53.94 -51.93 62.23 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.452 -179.472 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.557 ' OE1' ' O ' ' A' ' 72' ' ' HIS . 13.9 mp0 -67.97 -35.8 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.789 179.268 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -69.33 -41.74 76.26 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.011 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.4 t-105 -57.2 -42.74 81.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.438 178.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.747 ' N ' HD22 ' A' ' 79' ' ' ASN . 0.8 OUTLIER -61.84 -38.36 87.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.136 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -83.25 -1.64 53.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.599 179.239 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 65.3 t0 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.647 ' C ' ' H ' ' A' ' 4' ' ' GLY . 36.6 Cg_endo -72.62 -4.61 15.63 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.645 2.23 . . . . 0.0 111.889 179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 tp 65.46 -21.02 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.486 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.647 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . 57.15 -129.4 49.41 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 18.78 19.49 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.751 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 17.8 mmt -57.1 124.03 17.3 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.206 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -171.31 56.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.523 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -72.99 178.04 4.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.288 -179.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -76.39 153.75 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.6 p -85.73 158.72 19.96 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.39 -40.32 68.07 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.143 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -65.99 -47.27 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -63.94 -39.08 93.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.391 0.615 . . . . 0.0 109.649 179.13 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -63.11 -47.31 83.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.398 179.747 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.609 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 1.8 m120 -57.8 -38.5 75.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.016 178.663 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -62.22 -44.03 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.025 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.665 HD11 ' CE1' ' A' ' 21' ' ' PHE . 54.9 tp -61.47 -39.33 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.62 179.397 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' O ' HG13 ' A' ' 22' ' ' ILE . 25.3 mttt -59.87 -46.64 88.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.676 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.609 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -60.29 -41.35 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.722 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.03 -45.49 93.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 -179.628 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.665 ' CE1' HD11 ' A' ' 17' ' ' LEU . 5.0 m-30 -66.25 -45.24 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.955 -179.908 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.568 HD12 ' NE2' ' A' ' 19' ' ' GLN . 91.9 mt -57.99 -49.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.513 -0.475 . . . . 0.0 109.995 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 m -56.04 -38.66 70.87 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.11 -33.95 81.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.765 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.582 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 17.3 mm -71.23 -46.82 63.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.761 0.315 . . . . 0.0 110.685 179.683 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -69.49 -26.05 64.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 109.388 179.263 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -74.41 -29.29 61.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.325 178.596 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.582 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 52.5 p30 -109.34 154.57 22.34 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 112.188 -179.234 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -63.8 -20.97 66.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.661 179.261 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.533 HE22 ' CG ' ' A' ' 75' ' ' ASN . 97.5 mt-30 -47.94 -23.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -178.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -49.13 -21.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.235 0.54 . . . . 0.0 110.511 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.12 -40.22 73.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.403 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 33' ' ' LEU . 6.6 mp -61.22 -35.67 77.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.689 -179.528 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -66.3 -37.5 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.867 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.641 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -62.43 -38.99 91.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.953 179.539 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -60.22 -44.29 95.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.246 0.546 . . . . 0.0 109.539 179.307 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 37' ' ' LEU . 9.4 tt -71.81 -37.66 70.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.537 -179.824 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.641 ' O ' ' O ' ' A' ' 35' ' ' ALA . 21.9 m -114.17 143.77 44.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 112.167 -178.916 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -38.55 -29.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.443 178.872 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.701 ' OG ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER 179.64 -95.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.591 179.06 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.701 ' N ' ' OG ' ' A' ' 40' ' ' SER . 2.6 m-20 51.24 84.78 0.2 Allowed Pre-proline 0 N--CA 1.463 0.198 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.398 -179.759 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -74.56 -54.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.299 -2.045 0 C-N-CA 121.964 1.776 . . . . 0.0 112.654 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.671 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 81.1 mt -87.91 -28.33 5.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.398 -178.332 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.489 ' SD ' ' OD2' ' A' ' 41' ' ' ASP . 22.7 ttt -59.65 -37.29 78.29 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.957 179.48 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.671 ' ND2' ' O ' ' A' ' 43' ' ' ILE . 48.9 m-80 54.67 37.25 27.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 9.0 pt20 49.56 47.92 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.716 0.769 . . . . 0.0 110.022 -178.844 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' A' ' 51' ' ' HIS . 3.6 mt -42.16 -48.62 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.202 -179.666 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -56.82 -52.25 65.79 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.601 -177.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.661 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 1.3 mm? -69.99 -38.54 76.04 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.355 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -44.87 91.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.721 -178.699 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.483 ' NE2' ' CD2' ' A' ' 47' ' ' LEU . 12.1 m170 -60.78 -51.18 70.45 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.016 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.34 -45.34 93.79 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.443 -179.776 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -56.55 -57.74 11.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.784 179.422 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.85 -49.49 73.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 -179.339 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -55.78 -41.16 73.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.402 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -65.34 -32.27 73.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.853 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.613 ' O ' ' CG ' ' A' ' 60' ' ' MET . 89.4 m-70 -111.71 16.01 20.72 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.275 -178.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.598 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 11.4 ptm180 -49.62 -34.36 17.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.796 0.331 . . . . 0.0 111.442 179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.72 -30.16 55.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.381 0.61 . . . . 0.0 110.415 -179.44 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.733 ' O ' ' CD1' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -57.47 -32.15 66.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.291 179.312 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 13.0 p -66.91 -31.62 72.33 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 109.903 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 75.6 mm-40 -68.88 -26.5 65.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.059 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -77.72 -47.29 19.45 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.875 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.733 ' CD1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -139.56 57.39 1.64 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.043 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 61' ' ' CYS . 21.0 pttm -50.73 17.13 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.113 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.684 ' H ' ' C ' ' A' ' 64' ' ' TRP . 89.9 p -77.14 158.15 30.58 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.024 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -82.13 -66.84 0.84 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.8 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.13 -39.08 91.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.48 ' CB ' ' OG ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -62.28 -50.46 71.61 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.36 -178.351 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 66' ' ' SER . 78.2 mt -60.55 -40.71 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.967 -179.659 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 71' ' ' LEU . 82.4 mt -55.52 -41.81 73.64 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.529 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -62.16 -44.83 95.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.849 179.524 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.488 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 13.0 mmtt -60.71 -52.69 64.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.677 -179.646 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 78' ' ' TRP . 9.2 mp -56.9 -37.43 71.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.268 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' CG ' HE22 ' A' ' 30' ' ' GLN . 87.2 m-20 -57.52 -44.58 85.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.517 179.367 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 92.3 mt-10 -66.36 -39.39 89.11 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.775 178.481 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.09 -35.96 74.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.282 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.524 ' N ' ' O ' ' A' ' 74' ' ' LEU . 1.4 t-105 -55.71 -43.24 76.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.172 179.266 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.13 -36.99 86.02 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.898 178.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 53.5 mttm -63.93 -34.45 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.396 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.603 ' OD1' ' OXT' ' A' ' 81' ' ' ASP . 6.9 p30 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.171 -178.666 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.676 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 37.2 Cg_exo -56.93 149.79 59.26 Favored 'Trans proline' 0 C--N 1.302 -1.885 0 C-N-CA 123.002 2.468 . . . . 0.0 112.068 179.812 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt -83.64 147.0 27.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 110.465 179.568 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.92 -167.36 37.44 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.631 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.452 ' O ' ' O ' ' A' ' 6' ' ' MET . 12.8 p -78.22 -6.3 54.48 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.506 -179.243 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.5 ptp -50.14 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.816 179.716 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 6' ' ' MET . 12.6 m-20 86.35 124.16 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.265 0.353 . . . . 0.0 110.789 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -75.06 -173.86 2.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.003 -179.533 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -77.87 150.5 34.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.403 ' OG1' ' HG3' ' A' ' 13' ' ' GLU . 37.0 p -83.02 161.18 21.8 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -56.64 -42.83 79.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.364 -179.038 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.675 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 74.9 m-20 -64.59 -42.27 95.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.404 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 94.1 mt-10 -67.75 -39.25 84.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.247 178.33 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' THR . 3.9 t-105 -61.95 -46.87 87.4 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.439 179.83 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.608 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 88.0 m-20 -56.34 -41.54 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.455 179.319 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.675 ' NE2' ' O ' ' A' ' 12' ' ' ASP . 1.0 OUTLIER -62.6 -44.13 97.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.484 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.66 -38.72 85.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD3' ' CD2' ' A' ' 51' ' ' HIS . 25.5 mttt -59.48 -44.07 93.14 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.668 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.608 ' OE1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -59.1 -44.06 91.91 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.164 -179.482 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HB3' ' CE ' ' A' ' 67' ' ' LYS . 71.8 m-20 -61.48 -41.82 97.85 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.565 179.547 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CE2' HD21 ' A' ' 74' ' ' LEU . 3.9 m-30 -65.22 -47.67 76.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.826 179.195 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.504 HD12 ' NE2' ' A' ' 19' ' ' GLN . 85.9 mt -57.88 -48.99 82.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.705 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 68.4 m -55.67 -41.52 73.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.33 90.5 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.695 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.0 mm -70.8 -34.61 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.276 -179.643 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -80.34 -32.87 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.324 179.812 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 23' ' ' SER . 90.2 mt-10 -74.68 -39.27 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.505 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 29' ' ' GLU . 50.1 t-20 -83.73 153.02 24.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.63 179.753 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 31' ' ' LYS . 84.3 tt0 -58.98 -25.56 63.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 91.0 mt-30 -50.26 -6.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.267 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.873 ' O ' HG12 ' A' ' 34' ' ' VAL . 25.7 pttm -54.87 -35.49 64.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.344 179.865 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -63.58 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.035 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.645 HD13 HD22 ' A' ' 79' ' ' ASN . 88.2 mt -59.95 -46.0 90.8 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.873 HG12 ' O ' ' A' ' 31' ' ' LYS . 6.7 p -62.14 -31.98 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.269 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 38' ' ' THR . . . -64.6 -40.15 95.0 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.422 179.509 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -64.7 -40.23 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.608 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.06 HD13 HE22 ' A' ' 46' ' ' GLN . 8.5 tt -62.76 -41.6 99.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.469 -179.238 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.607 ' O ' ' O ' ' A' ' 35' ' ' ALA . 94.1 m -117.45 146.5 43.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.934 0.397 . . . . 0.0 111.004 -179.931 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 41' ' ' ASP . 92.0 m-20 -27.25 149.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.2 p -49.95 74.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.683 -179.056 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.652 ' N ' ' O ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -108.62 153.16 42.36 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.159 179.133 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.431 ' HG2' ' H ' ' A' ' 43' ' ' ILE . 37.7 Cg_endo -65.01 -76.19 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.756 2.304 . . . . 0.0 110.672 179.425 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.544 ' C ' ' H ' ' A' ' 45' ' ' ASN . 1.8 pt -99.7 -97.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.391 178.384 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.501 ' HG3' ' H ' ' A' ' 46' ' ' GLN . 10.7 tpt 63.76 -38.08 0.19 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.484 178.828 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.76 HD21 ' CD2' ' A' ' 47' ' ' LEU . 9.1 p30 44.31 16.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.185 179.028 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 1.06 HE22 HD13 ' A' ' 37' ' ' LEU . 14.5 pt20 46.78 57.39 5.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.52 0.676 . . . . 0.0 109.802 -178.45 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.76 ' CD2' HD21 ' A' ' 45' ' ' ASN . 53.7 mt -42.73 -52.48 4.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.2 -179.116 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.459 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 11.8 p-10 -59.85 -52.77 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.855 -178.222 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 83.7 mt -67.01 -40.57 87.34 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.242 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' GLN . 0.3 OUTLIER -59.1 -45.01 91.96 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.357 -179.248 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' A' ' 47' ' ' LEU . 25.0 m170 -59.81 -46.25 89.8 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.613 0.245 . . . . 0.0 110.73 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -58.7 -47.34 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.708 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -59.75 -55.02 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.519 179.567 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' A' ' 21' ' ' PHE . 15.2 tp -56.75 -53.39 58.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.354 -179.58 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -54.63 -45.3 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.161 -179.191 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' CZ ' ' CE1' ' A' ' 57' ' ' HIS . 6.0 ttt180 -60.3 -32.16 70.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.405 -179.618 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.519 ' O ' ' SD ' ' A' ' 60' ' ' MET . 36.7 m-70 -112.3 23.88 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.188 -179.427 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -56.18 -35.44 67.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.277 0.561 . . . . 0.0 110.638 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' MET . 11.3 p30 -58.94 -27.55 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.649 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.703 ' O ' ' NE1' ' A' ' 64' ' ' TRP . 7.3 ptt? -60.56 -30.22 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.082 -179.412 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.459 ' N ' ' HG2' ' A' ' 60' ' ' MET . 13.3 p -61.59 -28.03 69.06 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.22 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -74.44 -13.01 60.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -178.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' C ' ' CG ' ' A' ' 64' ' ' TRP . 26.2 mttm -87.34 20.69 2.71 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.703 ' NE1' ' O ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -169.21 -50.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 110.59 177.948 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttm 67.82 -4.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.593 -178.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 64' ' ' TRP . 12.7 p -94.66 134.92 36.72 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.638 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -62.45 -55.65 25.67 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.277 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.44 -42.48 87.45 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -177.218 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 2.6 m-20 -60.95 -47.79 84.8 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.169 -178.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 64' ' ' TRP . 84.7 mt -60.78 -43.1 94.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.614 -179.09 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 71' ' ' LEU . 36.0 mt -57.97 -43.17 86.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.355 -178.799 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -61.01 -41.16 96.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.602 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -67.09 -49.94 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.689 179.846 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' A' ' 21' ' ' PHE . 4.6 mp -57.25 -41.81 80.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.539 179.15 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' HB3' HE22 ' A' ' 30' ' ' GLN . 1.7 m120 -56.23 -48.72 75.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.644 179.2 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.886 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' ASP . 95.8 mt-30 -70.49 -43.15 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.349 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 1.3 t-105 -54.92 -45.5 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.998 0.427 . . . . 0.0 109.981 179.661 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.645 HD22 HD13 ' A' ' 33' ' ' LEU . 14.4 m120 -64.39 -38.05 89.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.499 179.301 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -86.06 -7.17 58.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.244 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 77' ' ' GLN . 26.5 m-20 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.64 -179.396 . . . . . . . . 1 1 . 1 stop_ save_